N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride

C24H32ClN3O2 — CID 119711154

IUPACN-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C24H31N3O2.ClH/c1-24(2,3)18-13-11-16(12-14-18)22(28)26-20-9-4-5-10-21(20)27-23(29)17-7-6-8-19(25)15-17;/h4-5,9-14,17,19H,6-8,15,25H2,1-3H3,(H,26,28)(H,27,29);1H
InChIKeyXLSCYIURWDILIN-UHFFFAOYSA-N
MW429.99 g/mol
LogP5.11
Rot. Bonds4

About N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride

N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride (PubChem CID 119711154) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride
PubChem CID119711154
Molecular FormulaC24H32ClN3O2
Molecular Weight429.99 g/mol
Exact Mass429.22
IUPAC NameN-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C24H31N3O2.ClH/c1-24(2,3)18-13-11-16(12-14-18)22(28)26-20-9-4-5-10-21(20)27-23(29)17-7-6-8-19(25)15-17;/h4-5,9-14,17,19H,6-8,15,25H2,1-3H3,(H,26,28)(H,27,29);1H
InChIKeyXLSCYIURWDILIN-UHFFFAOYSA-N
XLogP5.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.99
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119704020
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CID 63044143
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide
CID 119712024
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
CID 119709587
3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119706959
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-carbamimidoylpiperidine-3-carboxamide
CID 11796459
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119698530
N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide
CID 119679316
3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide
CID 63044315

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride?
The IUPAC name of N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride (CID 119711154) is N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride?
The canonical SMILES for N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride is CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)C2CCCC(N)C2)cc1.Cl.
What is the InChIKey of N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride?
The InChIKey is XLSCYIURWDILIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2.ClH/c1-24(2,3)18-13-11-16(12-14-18)22(28)26-20-9-4-5-10-21(20)27-23(29)17-7-6-8-19(25)15-17;/h4-5,9-14,17,19H,6-8,15,25H2,1-3H3,(H,26,28)(H,27,29);1H.
What are the key properties of N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride?
N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride has a molecular weight of 429.99 g/mol, XLogP of 5.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride is sourced from PubChem (CID 119711154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).