methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate

C15H22N2O3 — CID 60714423

IUPACmethyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-16(2)13-8-5-7-12(11-13)15(19)17(3)10-6-9-14(18)20-4/h5,7-8,11H,6,9-10H2,1-4H3
InChIKeyUMZHIXJXPMTXOT-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.78
Rot. Bonds6

About methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate

methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate (PubChem CID 60714423) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate
PubChem CID60714423
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-16(2)13-8-5-7-12(11-13)15(19)17(3)10-6-9-14(18)20-4/h5,7-8,11H,6,9-10H2,1-4H3
InChIKeyUMZHIXJXPMTXOT-UHFFFAOYSA-N
XLogP1.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide
CID 84592083
methyl 4-[[3-amino-4-(dimethylamino)benzoyl]-methylamino]butanoate
CID 61108493
methyl 4-[[3-(cyclopropanecarbonylamino)benzoyl]-methylamino]butanoate
CID 39491124
[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 9228812
methyl 4-[(3-amino-4-methylbenzoyl)-methylamino]butanoate
CID 60947543
methyl 4-[(4-chloro-3-methylbenzoyl)-methylamino]butanoate
CID 112699203
methyl 4-[(3-fluoro-4-methylbenzoyl)-methylamino]butanoate
CID 54943134
methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate
CID 80980046
methyl 4-[[4-(hydroxymethyl)benzoyl]-methylamino]butanoate
CID 55006062
methyl 6-[3-[2-hydroxyethyl(methyl)carbamoyl]phenyl]hex-5-enoate
CID 69335080
methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate
CID 54943241
methyl 4-[3-carbamimidoyl-N-[2-(4-carbamimidoylphenyl)ethyl]anilino]butanoate
CID 21217968

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate (CID 60714423) is methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate is COC(=O)CCCN(C)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate?
The InChIKey is UMZHIXJXPMTXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16(2)13-8-5-7-12(11-13)15(19)17(3)10-6-9-14(18)20-4/h5,7-8,11H,6,9-10H2,1-4H3.
What are the key properties of methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate?
methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate has a molecular weight of 278.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate is sourced from PubChem (CID 60714423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).