2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide

C16H20N2O — CID 103742388

IUPAC2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide
SMILESCC(C)C1(CNC(=O)Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H20N2O/c1-12(2)16(7-8-16)11-18-15(19)9-13-3-5-14(10-17)6-4-13/h3-6,12H,7-9,11H2,1-2H3,(H,18,19)
InChIKeyJWUGZCDAMMCMBW-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.65
Rot. Bonds5

About 2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide

2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide (PubChem CID 103742388) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide
PubChem CID103742388
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide
SMILESCC(C)C1(CNC(=O)Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H20N2O/c1-12(2)16(7-8-16)11-18-15(19)9-13-3-5-14(10-17)6-4-13/h3-6,12H,7-9,11H2,1-2H3,(H,18,19)
InChIKeyJWUGZCDAMMCMBW-UHFFFAOYSA-N
XLogP2.65
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide
CID 103742429
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide
CID 103528203
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081
2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309
2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide
CID 55209905
2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide
CID 55259609
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 62404558
2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide
CID 62404547
2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide
CID 115625108
3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111333105

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide (CID 103742388) is 2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide is CC(C)C1(CNC(=O)Cc2ccc(C#N)cc2)CC1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide?
The InChIKey is JWUGZCDAMMCMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(2)16(7-8-16)11-18-15(19)9-13-3-5-14(10-17)6-4-13/h3-6,12H,7-9,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide?
2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide has a molecular weight of 256.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 103742388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).