N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide

C22H26N2O2 — CID 171097142

IUPACN-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1cccc(C(NC(=O)C2CC2)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H26N2O2/c1-14(2)16-7-9-17(10-8-16)21(24-22(26)18-11-12-18)19-5-4-6-20(13-19)23-15(3)25/h4-10,13-14,18,21H,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRAYVXPGKHZTRKF-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.38
Rot. Bonds6

About N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide

N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide (PubChem CID 171097142) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
PubChem CID171097142
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1cccc(C(NC(=O)C2CC2)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H26N2O2/c1-14(2)16-7-9-17(10-8-16)21(24-22(26)18-11-12-18)19-5-4-6-20(13-19)23-15(3)25/h4-10,13-14,18,21H,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRAYVXPGKHZTRKF-UHFFFAOYSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 60848284
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080
N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097076
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097068
N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
CID 60981088
2-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 106738709
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide
CID 176904217
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide (CID 171097142) is N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide is CC(=O)Nc1cccc(C(NC(=O)C2CC2)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The InChIKey is RAYVXPGKHZTRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14(2)16-7-9-17(10-8-16)21(24-22(26)18-11-12-18)19-5-4-6-20(13-19)23-15(3)25/h4-10,13-14,18,21H,11-12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 171097142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).