3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide

C19H27N3O3 — CID 167923901

IUPAC3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(Nc1cccc(C(=O)NCC2(O)CCCCCC2)c1)NC1CC1
InChIInChI=1S/C19H27N3O3/c23-17(20-13-19(25)10-3-1-2-4-11-19)14-6-5-7-16(12-14)22-18(24)21-15-8-9-15/h5-7,12,15,25H,1-4,8-11,13H2,(H,20,23)(H2,21,22,24)
InChIKeyQJMHZTQWHUNWRO-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.79
Rot. Bonds5

About 3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide

3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide (PubChem CID 167923901) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
PubChem CID167923901
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(Nc1cccc(C(=O)NCC2(O)CCCCCC2)c1)NC1CC1
InChIInChI=1S/C19H27N3O3/c23-17(20-13-19(25)10-3-1-2-4-11-19)14-6-5-7-16(12-14)22-18(24)21-15-8-9-15/h5-7,12,15,25H,1-4,8-11,13H2,(H,20,23)(H2,21,22,24)
InChIKeyQJMHZTQWHUNWRO-UHFFFAOYSA-N
XLogP2.79
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[3-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120543071
1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 51104053
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide
CID 100652462
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42653331
2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546278
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
CID 60527660
N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide
CID 39335172
N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119549671

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide (CID 167923901) is 3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide is O=C(Nc1cccc(C(=O)NCC2(O)CCCCCC2)c1)NC1CC1.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The InChIKey is QJMHZTQWHUNWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-17(20-13-19(25)10-3-1-2-4-11-19)14-6-5-7-16(12-14)22-18(24)21-15-8-9-15/h5-7,12,15,25H,1-4,8-11,13H2,(H,20,23)(H2,21,22,24).
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide has a molecular weight of 345.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide is sourced from PubChem (CID 167923901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).