4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide

C19H29N3O2 — CID 119297478

IUPAC4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-4-18(2,3)22-16(23)14-8-10-15(11-9-14)21-17(24)19(20)12-6-5-7-13-19/h8-11H,4-7,12-13,20H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRLWUYTMASNUDAE-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.21
Rot. Bonds5

About 4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide

4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide (PubChem CID 119297478) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide
PubChem CID119297478
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-4-18(2,3)22-16(23)14-8-10-15(11-9-14)21-17(24)19(20)12-6-5-7-13-19/h8-11H,4-7,12-13,20H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRLWUYTMASNUDAE-UHFFFAOYSA-N
XLogP3.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
4-[(2-aminoacetyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297460
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide
CID 65466580
1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 113397756
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide
CID 119703087
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
CID 60854428
2-[[4-[(1-aminocyclobutanecarbonyl)amino]benzoyl]amino]acetic acid
CID 81173192
4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide
CID 119338734
1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide
CID 119337924
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide (CID 119297478) is 4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)C2(N)CCCCC2)cc1.
What is the InChIKey of 4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is RLWUYTMASNUDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-18(2,3)22-16(23)14-8-10-15(11-9-14)21-17(24)19(20)12-6-5-7-13-19/h8-11H,4-7,12-13,20H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide?
4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 331.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 119297478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).