methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate

C18H28N2O4 — CID 99788340

IUPACmethyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate
SMILESCOC(=O)CCCCC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C
InChIInChI=1S/C18H28N2O4/c1-20(2)16(14-8-7-9-15(12-14)23-3)13-19-17(21)10-5-6-11-18(22)24-4/h7-9,12,16H,5-6,10-11,13H2,1-4H3,(H,19,21)/t16-/m0/s1
InChIKeyULHMJOCSYSKMMN-INIZCTEOSA-N
MW336.43 g/mol
LogP2.15
Rot. Bonds10

About methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate

methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate (PubChem CID 99788340) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate.

Molecular Properties

Compound Namemethyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate
PubChem CID99788340
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Namemethyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate
SMILESCOC(=O)CCCCC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C
InChIInChI=1S/C18H28N2O4/c1-20(2)16(14-8-7-9-15(12-14)23-3)13-19-17(21)10-5-6-11-18(22)24-4/h7-9,12,16H,5-6,10-11,13H2,1-4H3,(H,19,21)/t16-/m0/s1
InChIKeyULHMJOCSYSKMMN-INIZCTEOSA-N
XLogP2.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate with MolForge

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Related Compounds

4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 24710565
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 134057342
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]propanoate
CID 43093101
4-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 112764499
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
2-[2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 94014886
2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796116
2-cyclopentyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51186688
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate?
The IUPAC name of methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate (CID 99788340) is methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate.
What is the SMILES notation for methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate?
The canonical SMILES for methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate is COC(=O)CCCCC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C.
What is the InChIKey of methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate?
The InChIKey is ULHMJOCSYSKMMN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-20(2)16(14-8-7-9-15(12-14)23-3)13-19-17(21)10-5-6-11-18(22)24-4/h7-9,12,16H,5-6,10-11,13H2,1-4H3,(H,19,21)/t16-/m0/s1.
What are the key properties of methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate?
methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate has a molecular weight of 336.43 g/mol, XLogP of 2.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate is sourced from PubChem (CID 99788340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).