3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide

C21H24N2O2 — CID 26110808

IUPAC3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C21H24N2O2/c1-21(2,3)16-9-7-14(8-10-16)19(24)23-18-6-4-5-15(13-18)20(25)22-17-11-12-17/h4-10,13,17H,11-12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyWRAXZMQOLRBCSE-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.13
Rot. Bonds4

About 3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide

3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide (PubChem CID 26110808) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
PubChem CID26110808
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C21H24N2O2/c1-21(2,3)16-9-7-14(8-10-16)19(24)23-18-6-4-5-15(13-18)20(25)22-17-11-12-17/h4-10,13,17H,11-12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyWRAXZMQOLRBCSE-UHFFFAOYSA-N
XLogP4.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide
CID 46698713
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
CID 16567527
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide
CID 35743719
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide (CID 26110808) is 3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of 3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide?
The InChIKey is WRAXZMQOLRBCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-21(2,3)16-9-7-14(8-10-16)19(24)23-18-6-4-5-15(13-18)20(25)22-17-11-12-17/h4-10,13,17H,11-12H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide?
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 26110808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).