N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

C21H29N3O3 — CID 52512489

IUPACN-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESCCNC(=O)C1(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)CCCCC1
InChIInChI=1S/C21H29N3O3/c1-3-22-20(27)21(11-5-4-6-12-21)24-18(25)15-7-9-16(10-8-15)23-19(26)17-13-14(17)2/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)/t14-,17+/m0/s1
InChIKeySBXAGFVMPGUYGQ-WMLDXEAASA-N
MW371.48 g/mol
LogP2.85
Rot. Bonds6

About N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide (PubChem CID 52512489) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
PubChem CID52512489
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESCCNC(=O)C1(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)CCCCC1
InChIInChI=1S/C21H29N3O3/c1-3-22-20(27)21(11-5-4-6-12-21)24-18(25)15-7-9-16(10-8-15)23-19(26)17-13-14(17)2/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)/t14-,17+/m0/s1
InChIKeySBXAGFVMPGUYGQ-WMLDXEAASA-N
XLogP2.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide with MolForge

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Related Compounds

1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71941988
1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97023036
methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate
CID 55670750
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651869
N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46437430
N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299958
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136419
4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]benzamide
CID 124887231
(2S,3S)-3-methyl-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]pentanoic acid
CID 119194021
2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide
CID 106910392

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide (CID 52512489) is N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide is CCNC(=O)C1(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)CCCCC1.
What is the InChIKey of N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The InChIKey is SBXAGFVMPGUYGQ-WMLDXEAASA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-22-20(27)21(11-5-4-6-12-21)24-18(25)15-7-9-16(10-8-15)23-19(26)17-13-14(17)2/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)/t14-,17+/m0/s1.
What are the key properties of N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide has a molecular weight of 371.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 52512489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).