N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide

C19H21N3O2 — CID 38215909

IUPACN-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(NCCc1ccccc1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H21N3O2/c23-18(15-9-10-15)21-16-7-4-8-17(13-16)22-19(24)20-12-11-14-5-2-1-3-6-14/h1-8,13,15H,9-12H2,(H,21,23)(H2,20,22,24)
InChIKeyPDRWPZUSBUYSNC-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.40
Rot. Bonds6

About N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide

N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide (PubChem CID 38215909) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
PubChem CID38215909
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(NCCc1ccccc1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H21N3O2/c23-18(15-9-10-15)21-16-7-4-8-17(13-16)22-19(24)20-12-11-14-5-2-1-3-6-14/h1-8,13,15H,9-12H2,(H,21,23)(H2,20,22,24)
InChIKeyPDRWPZUSBUYSNC-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148972
4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148979
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
N-[3-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25466004
N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
CID 17222847
1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea
CID 56505271
1-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149014
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid
CID 122078849

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide (CID 38215909) is N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide is O=C(NCCc1ccccc1)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is PDRWPZUSBUYSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(15-9-10-15)21-16-7-4-8-17(13-16)22-19(24)20-12-11-14-5-2-1-3-6-14/h1-8,13,15H,9-12H2,(H,21,23)(H2,20,22,24).
What are the key properties of N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide?
N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 38215909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).