2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid

C19H25N3O4 — CID 120546278

IUPAC2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)c2cccc(NC(=O)NC3CC3)c2)CCCCC1C(=O)O
InChIInChI=1S/C19H25N3O4/c1-19(10-3-2-7-15(19)17(24)25)22-16(23)12-5-4-6-14(11-12)21-18(26)20-13-8-9-13/h4-6,11,13,15H,2-3,7-10H2,1H3,(H,22,23)(H,24,25)(H2,20,21,26)
InChIKeyJNYPSWXLQRKEAP-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.73
Rot. Bonds5

About 2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid

2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 120546278) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID120546278
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)c2cccc(NC(=O)NC3CC3)c2)CCCCC1C(=O)O
InChIInChI=1S/C19H25N3O4/c1-19(10-3-2-7-15(19)17(24)25)22-16(23)12-5-4-6-14(11-12)21-18(26)20-13-8-9-13/h4-6,11,13,15H,2-3,7-10H2,1H3,(H,22,23)(H,24,25)(H2,20,21,26)
InChIKeyJNYPSWXLQRKEAP-UHFFFAOYSA-N
XLogP2.73
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120546347
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 167923901
N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide
CID 39335172
N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42653331
1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea
CID 55882970
4-[[[3-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120543071
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
CID 60527660
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
CID 47033154
2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545609

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid (CID 120546278) is 2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid is CC1(NC(=O)c2cccc(NC(=O)NC3CC3)c2)CCCCC1C(=O)O.
What is the InChIKey of 2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is JNYPSWXLQRKEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-19(10-3-2-7-15(19)17(24)25)22-16(23)12-5-4-6-14(11-12)21-18(26)20-13-8-9-13/h4-6,11,13,15H,2-3,7-10H2,1H3,(H,22,23)(H,24,25)(H2,20,21,26).
What are the key properties of 2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid?
2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 120546278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).