4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide

C21H26N2O3 — CID 55920471

IUPAC4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide
SMILESCOc1ccc(C(=O)NCCCC(=O)N(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-16(2)23(18-8-5-4-6-9-18)20(24)10-7-15-22-21(25)17-11-13-19(26-3)14-12-17/h4-6,8-9,11-14,16H,7,10,15H2,1-3H3,(H,22,25)
InChIKeyFXDKZXCEFUGFRM-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.65
Rot. Bonds8

About 4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide

4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide (PubChem CID 55920471) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide
PubChem CID55920471
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide
SMILESCOc1ccc(C(=O)NCCCC(=O)N(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-16(2)23(18-8-5-4-6-9-18)20(24)10-7-15-22-21(25)17-11-13-19(26-3)14-12-17/h4-6,8-9,11-14,16H,7,10,15H2,1-3H3,(H,22,25)
InChIKeyFXDKZXCEFUGFRM-UHFFFAOYSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.65
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

3-(4-methoxyphenyl)-N-phenyl-N-propan-2-ylpropanamide
CID 87009451
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827325
4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid
CID 119170708
methyl 4-benzamidobutanoate
CID 13197711
N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 119585085
4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide
CID 162689980
6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate
CID 110169848
N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39756465
N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-(N-methylanilino)benzamide
CID 55880097
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide (CID 55920471) is 4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide is COc1ccc(C(=O)NCCCC(=O)N(c2ccccc2)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide?
The InChIKey is FXDKZXCEFUGFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(2)23(18-8-5-4-6-9-18)20(24)10-7-15-22-21(25)17-11-13-19(26-3)14-12-17/h4-6,8-9,11-14,16H,7,10,15H2,1-3H3,(H,22,25).
What are the key properties of 4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide?
4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide is sourced from PubChem (CID 55920471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).