N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide

C19H34N2O4 — CID 169159425

IUPACN-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
SMILESCCCC(=O)NCCOCCC(=O)NC1CCC(C(=O)C(C)C)CC1
InChIInChI=1S/C19H34N2O4/c1-4-5-17(22)20-11-13-25-12-10-18(23)21-16-8-6-15(7-9-16)19(24)14(2)3/h14-16H,4-13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyBAUQNKMKCSPDIE-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.21
Rot. Bonds11

About N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide

N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide (PubChem CID 169159425) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
PubChem CID169159425
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC NameN-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
SMILESCCCC(=O)NCCOCCC(=O)NC1CCC(C(=O)C(C)C)CC1
InChIInChI=1S/C19H34N2O4/c1-4-5-17(22)20-11-13-25-12-10-18(23)21-16-8-6-15(7-9-16)19(24)14(2)3/h14-16H,4-13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyBAUQNKMKCSPDIE-UHFFFAOYSA-N
XLogP2.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
CID 169159088
2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 169158396
3-[2-[(2-methoxyacetyl)amino]ethoxy]-N-[4-(2-methylpropanoyl)cyclohexyl]propanamide
CID 178082713
ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 177357226
N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen
CID 167464240
molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539
N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide
CID 169158788
N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide
CID 167464295
N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen
CID 167464298
ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 177357306
N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 169158949
4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
CID 169158474

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide?
The IUPAC name of N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide (CID 169159425) is N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide.
What is the SMILES notation for N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide?
The canonical SMILES for N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide is CCCC(=O)NCCOCCC(=O)NC1CCC(C(=O)C(C)C)CC1.
What is the InChIKey of N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide?
The InChIKey is BAUQNKMKCSPDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-4-5-17(22)20-11-13-25-12-10-18(23)21-16-8-6-15(7-9-16)19(24)14(2)3/h14-16H,4-13H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide?
N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide has a molecular weight of 354.49 g/mol, XLogP of 2.21, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide is sourced from PubChem (CID 169159425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).