N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide

C20H23N3O2 — CID 119949945

IUPACN-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-13-7-10-16(22-20(25)15-8-9-15)11-18(13)23-19(24)12-17(21)14-5-3-2-4-6-14/h2-7,10-11,15,17H,8-9,12,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyGCZQNKGWNKLAHH-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.37
Rot. Bonds6

About N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide

N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 119949945) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide
PubChem CID119949945
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-13-7-10-16(22-20(25)15-8-9-15)11-18(13)23-19(24)12-17(21)14-5-3-2-4-6-14/h2-7,10-11,15,17H,8-9,12,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyGCZQNKGWNKLAHH-UHFFFAOYSA-N
XLogP3.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
CID 119949941
N-[4-[5-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutan-2-yl]benzamide
CID 46478274
N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide
CID 55742072
2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108665
N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride
CID 119290704
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride
CID 119954106
N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46487328
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 40790954
3-amino-N-(2,4-dimethylphenyl)-3-phenylpropanamide
CID 24693280
3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride
CID 119950083
N-[4-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 87001216
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide
CID 119865151

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide (CID 119949945) is N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CC(N)c1ccccc1.
What is the InChIKey of N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is GCZQNKGWNKLAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-7-10-16(22-20(25)15-8-9-15)11-18(13)23-19(24)12-17(21)14-5-3-2-4-6-14/h2-7,10-11,15,17H,8-9,12,21H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide?
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 119949945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).