2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide

C19H21NO — CID 110409297

IUPAC2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
SMILESCc1ccc(CNC(=O)C(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C19H21NO/c1-14-7-9-15(10-8-14)13-20-19(21)18(17-11-12-17)16-5-3-2-4-6-16/h2-10,17-18H,11-13H2,1H3,(H,20,21)
InChIKeyYNXQXNAMTVRICI-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.81
Rot. Bonds5

About 2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide

2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide (PubChem CID 110409297) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
PubChem CID110409297
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
SMILESCc1ccc(CNC(=O)C(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C19H21NO/c1-14-7-9-15(10-8-14)13-20-19(21)18(17-11-12-17)16-5-3-2-4-6-16/h2-10,17-18H,11-13H2,1H3,(H,20,21)
InChIKeyYNXQXNAMTVRICI-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 110355576
2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 62878754
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 171096980
2-(benzhydrylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 46631037
5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110260
2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide
CID 51031187
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
2-cyclopentyl-2-phenyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 91794763
(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
CID 125465712
2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid
CID 62710013
N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide
CID 58787317

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide (CID 110409297) is 2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide is Cc1ccc(CNC(=O)C(c2ccccc2)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide?
The InChIKey is YNXQXNAMTVRICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-14-7-9-15(10-8-14)13-20-19(21)18(17-11-12-17)16-5-3-2-4-6-16/h2-10,17-18H,11-13H2,1H3,(H,20,21).
What are the key properties of 2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide?
2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide has a molecular weight of 279.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 110409297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).