methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate

C15H22N2O3 — CID 110488216

IUPACmethyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-11-7-8-12(10-13(11)16)15(19)17-9-5-3-4-6-14(18)20-2/h7-8,10H,3-6,9,16H2,1-2H3,(H,17,19)
InChIKeyOFPDKFFDDNLOPL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.04
Rot. Bonds7

About methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate

methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate (PubChem CID 110488216) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate
PubChem CID110488216
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-11-7-8-12(10-13(11)16)15(19)17-9-5-3-4-6-14(18)20-2/h7-8,10H,3-6,9,16H2,1-2H3,(H,17,19)
InChIKeyOFPDKFFDDNLOPL-UHFFFAOYSA-N
XLogP2.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(3-amino-4-methylbenzoyl)amino]propanoate
CID 43665854
methyl 4-[(3-amino-4-bromobenzoyl)amino]butanoate
CID 114003913
4-[(3-amino-4-methylbenzoyl)amino]butanoic acid
CID 61158961
methyl 6-[(3-methyl-4-phenylbenzoyl)amino]hexanoate
CID 66690331
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
CID 120619661
methyl 4-[(3-amino-4-methylbenzoyl)-methylamino]butanoate
CID 60947543
methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride
CID 120617889
4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
CID 106233185
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate?
The IUPAC name of methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate (CID 110488216) is methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1ccc(C)c(N)c1.
What is the InChIKey of methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate?
The InChIKey is OFPDKFFDDNLOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-7-8-12(10-13(11)16)15(19)17-9-5-3-4-6-14(18)20-2/h7-8,10H,3-6,9,16H2,1-2H3,(H,17,19).
What are the key properties of methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate?
methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate has a molecular weight of 278.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate is sourced from PubChem (CID 110488216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).