N-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide

C32H64N4O9S — CID 142369689

IUPACN-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide
SMILESC=O.CC.CC.CC(=O)COCC(=O)N(C)CCN(C)COCCOCCSC(CC=O)C(=O)N(C)CC1CCCCC1.NC=O
InChIInChI=1S/C26H47N3O7S.2C2H6.CH3NO.CH2O/c1-22(31)19-36-20-25(32)28(3)12-11-27(2)21-35-15-14-34-16-17-37-24(10-13-30)26(33)29(4)18-23-8-6-5-7-9-23;2*1-2;2-1-3;1-2/h13,23-24H,5-12,14-21H2,1-4H3;2*1-2H3;1H,(H2,2,3);1H2
InChIKeyLPJMAWMJNXICKZ-UHFFFAOYSA-N
MW680.95 g/mol
LogP2.67
Rot. Bonds21

About N-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide

N-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide (PubChem CID 142369689) has the molecular formula C32H64N4O9S and a molecular weight of 680.95 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide
PubChem CID142369689
Molecular FormulaC32H64N4O9S
Molecular Weight680.95 g/mol
Exact Mass680.44
IUPAC NameN-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide
SMILESC=O.CC.CC.CC(=O)COCC(=O)N(C)CCN(C)COCCOCCSC(CC=O)C(=O)N(C)CC1CCCCC1.NC=O
InChIInChI=1S/C26H47N3O7S.2C2H6.CH3NO.CH2O/c1-22(31)19-36-20-25(32)28(3)12-11-27(2)21-35-15-14-34-16-17-37-24(10-13-30)26(33)29(4)18-23-8-6-5-7-9-23;2*1-2;2-1-3;1-2/h13,23-24H,5-12,14-21H2,1-4H3;2*1-2H3;1H,(H2,2,3);1H2
InChIKeyLPJMAWMJNXICKZ-UHFFFAOYSA-N
XLogP2.67
TPSA165.85 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.95
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide with MolForge

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Related Compounds

N-[(4-acetylcyclohexyl)methyl]-N-methyl-2-(4-methyl-3-oxopentyl)sulfanyl-4-oxobutanamide
CID 171546120
2-(2-aminoethoxy)-N-(cyclobutylmethyl)-N-methylacetamide
CID 79479227
(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride
CID 119704436
N-(2-methoxyethyl)-N-methyl-2-(2-oxopropoxy)acetamide
CID 153486045
N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide
CID 66324117
N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide
CID 106201796
N-(cyclohexylmethyl)-2-methoxy-N-methylpropanamide
CID 112685953
(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
CID 61162838
2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
CID 119279206
N-(cyclopentylmethyl)-N-methyl-2-piperidin-4-yloxyacetamide
CID 63876248
2-amino-N-(cyclopentylmethyl)-4-methoxy-N-methylbutanamide
CID 63654910
(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide
CID 107568999

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide (CID 142369689) is N-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide is C=O.CC.CC.CC(=O)COCC(=O)N(C)CCN(C)COCCOCCSC(CC=O)C(=O)N(C)CC1CCCCC1.NC=O.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide?
The InChIKey is LPJMAWMJNXICKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N3O7S.2C2H6.CH3NO.CH2O/c1-22(31)19-36-20-25(32)28(3)12-11-27(2)21-35-15-14-34-16-17-37-24(10-13-30)26(33)29(4)18-23-8-6-5-7-9-23;2*1-2;2-1-3;1-2/h13,23-24H,5-12,14-21H2,1-4H3;2*1-2H3;1H,(H2,2,3);1H2.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide?
N-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide has a molecular weight of 680.95 g/mol, XLogP of 2.67, 21 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-2-[2-[2-[[methyl-[2-[methyl-[2-(2-oxopropoxy)acetyl]amino]ethyl]amino]methoxy]ethoxy]ethylsulfanyl]-4-oxobutanamide;ethane;formaldehyde;formamide is sourced from PubChem (CID 142369689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).