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

C20H31NO4 — CID 91715386

IUPACnonyl 3-[(3-methoxybenzoyl)amino]propanoate
SMILESCCCCCCCCCOC(=O)CCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C20H31NO4/c1-3-4-5-6-7-8-9-15-25-19(22)13-14-21-20(23)17-11-10-12-18(16-17)24-2/h10-12,16H,3-9,13-15H2,1-2H3,(H,21,23)
InChIKeyZEZWMDSDDKRFDN-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.11
Rot. Bonds13

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

nonyl 3-[(3-methoxybenzoyl)amino]propanoate (PubChem CID 91715386) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is nonyl 3-[(3-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namenonyl 3-[(3-methoxybenzoyl)amino]propanoate
PubChem CID91715386
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Namenonyl 3-[(3-methoxybenzoyl)amino]propanoate
SMILESCCCCCCCCCOC(=O)CCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C20H31NO4/c1-3-4-5-6-7-8-9-15-25-19(22)13-14-21-20(23)17-11-10-12-18(16-17)24-2/h10-12,16H,3-9,13-15H2,1-2H3,(H,21,23)
InChIKeyZEZWMDSDDKRFDN-UHFFFAOYSA-N
XLogP4.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

nonyl 3-[(3-methylbenzoyl)amino]propanoate
CID 91710771
3-methoxy-N-tridecylbenzamide
CID 139819898
3-heptoxybenzohydrazide
CID 54793165
3-hexoxybenzohydrazide
CID 54793158
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
hexyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715049
octyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715450
3-pentoxybenzohydrazide
CID 54793157
N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide
CID 113056954
undecyl 3-[(4-ethylbenzoyl)amino]propanoate
CID 91714756
pentyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715426
methane;pentyl 3-methoxybenzoate
CID 175424879

Frequently Asked Questions

What is the IUPAC name of nonyl 3-[(3-methoxybenzoyl)amino]propanoate?
The IUPAC name of nonyl 3-[(3-methoxybenzoyl)amino]propanoate (CID 91715386) is nonyl 3-[(3-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for nonyl 3-[(3-methoxybenzoyl)amino]propanoate?
The canonical SMILES for nonyl 3-[(3-methoxybenzoyl)amino]propanoate is CCCCCCCCCOC(=O)CCNC(=O)c1cccc(OC)c1.
What is the InChIKey of nonyl 3-[(3-methoxybenzoyl)amino]propanoate?
The InChIKey is ZEZWMDSDDKRFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4/c1-3-4-5-6-7-8-9-15-25-19(22)13-14-21-20(23)17-11-10-12-18(16-17)24-2/h10-12,16H,3-9,13-15H2,1-2H3,(H,21,23).
What are the key properties of nonyl 3-[(3-methoxybenzoyl)amino]propanoate?
nonyl 3-[(3-methoxybenzoyl)amino]propanoate has a molecular weight of 349.47 g/mol, XLogP of 4.11, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 3-[(3-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 91715386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).