N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide

C20H23N3O2 — CID 47033148

IUPACN-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide
SMILESCC(CNC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-14(15-6-3-2-4-7-15)13-21-20(25)23-18-9-5-8-16(12-18)19(24)22-17-10-11-17/h2-9,12,14,17H,10-11,13H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyVZGQDJRZAFKTDP-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.50
Rot. Bonds6

About N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide

N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide (PubChem CID 47033148) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide
PubChem CID47033148
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide
SMILESCC(CNC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-14(15-6-3-2-4-7-15)13-21-20(25)23-18-9-5-8-16(12-18)19(24)22-17-10-11-17/h2-9,12,14,17H,10-11,13H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyVZGQDJRZAFKTDP-UHFFFAOYSA-N
XLogP3.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
CID 47033154
1-(3-methoxyphenyl)-3-(2-phenylpropyl)urea
CID 51328278
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
N-cyclopropyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 26110998
N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 2239978
N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
CID 27447667
N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119387911
1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea
CID 69353611
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide?
The IUPAC name of N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide (CID 47033148) is N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide?
The canonical SMILES for N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide is CC(CNC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide?
The InChIKey is VZGQDJRZAFKTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(15-6-3-2-4-7-15)13-21-20(25)23-18-9-5-8-16(12-18)19(24)22-17-10-11-17/h2-9,12,14,17H,10-11,13H2,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide?
N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide has a molecular weight of 337.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide is sourced from PubChem (CID 47033148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).