2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide

C22H28N2O3 — CID 4935218

IUPAC2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-4-5-8-15-27-18-13-11-17(12-14-18)21(25)24-20-10-7-6-9-19(20)22(26)23-16(2)3/h6-7,9-14,16H,4-5,8,15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyANBAOVRRWYDRGC-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.65
Rot. Bonds9

About 2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide

2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide (PubChem CID 4935218) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
PubChem CID4935218
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-4-5-8-15-27-18-13-11-17(12-14-18)21(25)24-20-10-7-6-9-19(20)22(26)23-16(2)3/h6-7,9-14,16H,4-5,8,15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyANBAOVRRWYDRGC-UHFFFAOYSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2463988
2-[(4-pentoxybenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide
CID 4935900
2-[(4-heptoxybenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide
CID 4951008
2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938490
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
ethyl 2-[(4-hexoxybenzoyl)amino]benzoate
CID 19170768
4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4935150
2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4941111
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide (CID 4935218) is 2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide is CCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1.
What is the InChIKey of 2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is ANBAOVRRWYDRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-5-8-15-27-18-13-11-17(12-14-18)21(25)24-20-10-7-6-9-19(20)22(26)23-16(2)3/h6-7,9-14,16H,4-5,8,15H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide?
2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 368.48 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 4935218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).