5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide

C23H29N3O2 — CID 3967282

IUPAC5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc(N(C)C)c(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C23H29N3O2/c1-4-5-6-16-7-9-17(10-8-16)22(27)25-19-13-14-21(26(2)3)20(15-19)23(28)24-18-11-12-18/h7-10,13-15,18H,4-6,11-12H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyXANMDPGBCDXJNS-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.24
Rot. Bonds8

About 5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide

5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide (PubChem CID 3967282) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide.

Molecular Properties

Compound Name5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
PubChem CID3967282
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc(N(C)C)c(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C23H29N3O2/c1-4-5-6-16-7-9-17(10-8-16)22(27)25-19-13-14-21(26(2)3)20(15-19)23(28)24-18-11-12-18/h7-10,13-15,18H,4-6,11-12H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyXANMDPGBCDXJNS-UHFFFAOYSA-N
XLogP4.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide
CID 42747741
N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide
CID 42747482
N-benzyl-2-(dimethylamino)-5-[(4-hexylbenzoyl)amino]benzamide
CID 5177723
5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 42659083
N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747499
2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide
CID 5021314
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
4-butyl-N-cyclopentylbenzamide
CID 60674795
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide
CID 42747229

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide?
The IUPAC name of 5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide (CID 3967282) is 5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide.
What is the SMILES notation for 5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide?
The canonical SMILES for 5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide is CCCCc1ccc(C(=O)Nc2ccc(N(C)C)c(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of 5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide?
The InChIKey is XANMDPGBCDXJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-5-6-16-7-9-17(10-8-16)22(27)25-19-13-14-21(26(2)3)20(15-19)23(28)24-18-11-12-18/h7-10,13-15,18H,4-6,11-12H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide?
5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide has a molecular weight of 379.50 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide is sourced from PubChem (CID 3967282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).