4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride

C19H30ClN3O2 — CID 119310067

IUPAC4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13(2)12-21-17(23)15-7-8-16(14(3)11-15)22-18(24)19(20)9-5-4-6-10-19;/h7-8,11,13H,4-6,9-10,12,20H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeyYLFLVOUNGNIVNP-UHFFFAOYSA-N
MW367.92 g/mol
LogP3.40
Rot. Bonds5

About 4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride

4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride (PubChem CID 119310067) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is 4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride
PubChem CID119310067
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13(2)12-21-17(23)15-7-8-16(14(3)11-15)22-18(24)19(20)9-5-4-6-10-19;/h7-8,11,13H,4-6,9-10,12,20H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeyYLFLVOUNGNIVNP-UHFFFAOYSA-N
XLogP3.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
4-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119760392
1-amino-N-(2-methyl-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60927272
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119310041
2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119760388
3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide
CID 56510951
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578
2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 122150470

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride?
The IUPAC name of 4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride (CID 119310067) is 4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride?
The canonical SMILES for 4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride is Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride?
The InChIKey is YLFLVOUNGNIVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-13(2)12-21-17(23)15-7-8-16(14(3)11-15)22-18(24)19(20)9-5-4-6-10-19;/h7-8,11,13H,4-6,9-10,12,20H2,1-3H3,(H,21,23)(H,22,24);1H.
What are the key properties of 4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride?
4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 3.40, 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]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119310067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).