N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide

C20H24N2O — CID 171097076

IUPACN-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
SMILESCC(C)c1ccc([C@@H](NC(=O)C2CC2)c2ccccc2N)cc1
InChIInChI=1S/C20H24N2O/c1-13(2)14-7-9-15(10-8-14)19(22-20(23)16-11-12-16)17-5-3-4-6-18(17)21/h3-10,13,16,19H,11-12,21H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyQDDNXJXIGFEFSY-LJQANCHMSA-N
MW308.43 g/mol
LogP4.01
Rot. Bonds5

About N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide

N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide (PubChem CID 171097076) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
PubChem CID171097076
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
SMILESCC(C)c1ccc([C@@H](NC(=O)C2CC2)c2ccccc2N)cc1
InChIInChI=1S/C20H24N2O/c1-13(2)14-7-9-15(10-8-14)19(22-20(23)16-11-12-16)17-5-3-4-6-18(17)21/h3-10,13,16,19H,11-12,21H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyQDDNXJXIGFEFSY-LJQANCHMSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline
CID 174266299
N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097068
N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide
CID 171097049
N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide
CID 43297876
(2S)-1-acetyl-N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-2-carboxamide
CID 171097020
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080
N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide
CID 176904217
N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097142
N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 171097060
N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 171097047
1-(cyclopropylmethyl)-N-[2-[[(2-fluorocyclopropanecarbonyl)amino]-(4-propan-2-ylphenyl)methyl]phenyl]piperidine-4-carboxamide
CID 171097066
1-(cyclopropylmethyl)-N-[2-[(R)-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-(4-propan-2-ylphenyl)methyl]phenyl]piperidine-4-carboxamide
CID 171097053

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide (CID 171097076) is N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide is CC(C)c1ccc([C@@H](NC(=O)C2CC2)c2ccccc2N)cc1.
What is the InChIKey of N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The InChIKey is QDDNXJXIGFEFSY-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O/c1-13(2)14-7-9-15(10-8-14)19(22-20(23)16-11-12-16)17-5-3-4-6-18(17)21/h3-10,13,16,19H,11-12,21H2,1-2H3,(H,22,23)/t19-/m1/s1.
What are the key properties of N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide has a molecular weight of 308.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 171097076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).