4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide

C19H21N3O2 — CID 39884786

IUPAC4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide
SMILESO=C(Nc1ccc(C(=O)NCCc2ccccc2)cc1)NC1CC1
InChIInChI=1S/C19H21N3O2/c23-18(20-13-12-14-4-2-1-3-5-14)15-6-8-16(9-7-15)21-19(24)22-17-10-11-17/h1-9,17H,10-13H2,(H,20,23)(H2,21,22,24)
InChIKeyGZBCAKACHGCTRF-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.94
Rot. Bonds6

About 4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide

4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide (PubChem CID 39884786) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide
PubChem CID39884786
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide
SMILESO=C(Nc1ccc(C(=O)NCCc2ccccc2)cc1)NC1CC1
InChIInChI=1S/C19H21N3O2/c23-18(20-13-12-14-4-2-1-3-5-14)15-6-8-16(9-7-15)21-19(24)22-17-10-11-17/h1-9,17H,10-13H2,(H,20,23)(H2,21,22,24)
InChIKeyGZBCAKACHGCTRF-UHFFFAOYSA-N
XLogP2.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 72889045
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119549671
3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-(2-phenylethyl)benzamide
CID 39337107
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231352
N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 60508760
N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119303511
4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide
CID 47056970

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide (CID 39884786) is 4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide is O=C(Nc1ccc(C(=O)NCCc2ccccc2)cc1)NC1CC1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide?
The InChIKey is GZBCAKACHGCTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(20-13-12-14-4-2-1-3-5-14)15-6-8-16(9-7-15)21-19(24)22-17-10-11-17/h1-9,17H,10-13H2,(H,20,23)(H2,21,22,24).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide?
4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 39884786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).