nonyl 3-[(3-methylbenzoyl)amino]propanoate

C20H31NO3 — CID 91710771

IUPACnonyl 3-[(3-methylbenzoyl)amino]propanoate
SMILESCCCCCCCCCOC(=O)CCNC(=O)c1cccc(C)c1
InChIInChI=1S/C20H31NO3/c1-3-4-5-6-7-8-9-15-24-19(22)13-14-21-20(23)18-12-10-11-17(2)16-18/h10-12,16H,3-9,13-15H2,1-2H3,(H,21,23)
InChIKeyMWNDNIZWWQPUSM-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.41
Rot. Bonds12

About nonyl 3-[(3-methylbenzoyl)amino]propanoate

nonyl 3-[(3-methylbenzoyl)amino]propanoate (PubChem CID 91710771) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is nonyl 3-[(3-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namenonyl 3-[(3-methylbenzoyl)amino]propanoate
PubChem CID91710771
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Namenonyl 3-[(3-methylbenzoyl)amino]propanoate
SMILESCCCCCCCCCOC(=O)CCNC(=O)c1cccc(C)c1
InChIInChI=1S/C20H31NO3/c1-3-4-5-6-7-8-9-15-24-19(22)13-14-21-20(23)18-12-10-11-17(2)16-18/h10-12,16H,3-9,13-15H2,1-2H3,(H,21,23)
InChIKeyMWNDNIZWWQPUSM-UHFFFAOYSA-N
XLogP4.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

nonyl 3-[(3-methoxybenzoyl)amino]propanoate
CID 91715386
butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate
CID 42631180
pentyl 3-[3-[(4-methylbenzoyl)amino]propanoylamino]propanoate
CID 91710666
undecyl 3-[(4-ethylbenzoyl)amino]propanoate
CID 91714756
hexyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710225
dodecyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710231
heptadecyl 3-methylbenzoate
CID 530478
undecyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710673
octyl 3-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 91726390
octyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710670
decyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710672
1-O-hexyl 4-O-(3-methylphenyl) butanedioate
CID 91702060

Frequently Asked Questions

What is the IUPAC name of nonyl 3-[(3-methylbenzoyl)amino]propanoate?
The IUPAC name of nonyl 3-[(3-methylbenzoyl)amino]propanoate (CID 91710771) is nonyl 3-[(3-methylbenzoyl)amino]propanoate.
What is the SMILES notation for nonyl 3-[(3-methylbenzoyl)amino]propanoate?
The canonical SMILES for nonyl 3-[(3-methylbenzoyl)amino]propanoate is CCCCCCCCCOC(=O)CCNC(=O)c1cccc(C)c1.
What is the InChIKey of nonyl 3-[(3-methylbenzoyl)amino]propanoate?
The InChIKey is MWNDNIZWWQPUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-3-4-5-6-7-8-9-15-24-19(22)13-14-21-20(23)18-12-10-11-17(2)16-18/h10-12,16H,3-9,13-15H2,1-2H3,(H,21,23).
What are the key properties of nonyl 3-[(3-methylbenzoyl)amino]propanoate?
nonyl 3-[(3-methylbenzoyl)amino]propanoate has a molecular weight of 333.47 g/mol, XLogP of 4.41, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 3-[(3-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 91710771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).