N-(pentan-2-ylideneamino)-2-phenylacetamide

C13H18N2O — CID 4057395

IUPACN-(pentan-2-ylideneamino)-2-phenylacetamide
SMILESCCCC(C)=NNC(=O)Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-3-7-11(2)14-15-13(16)10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,15,16)
InChIKeyVECJKJNRRWEBNR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.52
Rot. Bonds5

About N-(pentan-2-ylideneamino)-2-phenylacetamide

N-(pentan-2-ylideneamino)-2-phenylacetamide (PubChem CID 4057395) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(pentan-2-ylideneamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-(pentan-2-ylideneamino)-2-phenylacetamide
PubChem CID4057395
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(pentan-2-ylideneamino)-2-phenylacetamide
SMILESCCCC(C)=NNC(=O)Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-3-7-11(2)14-15-13(16)10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,15,16)
InChIKeyVECJKJNRRWEBNR-UHFFFAOYSA-N
XLogP2.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6386610
N-(hexan-2-ylideneamino)-2-naphthalen-1-ylacetamide
CID 4066378
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
2-phenyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 6262359
(3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6369433
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-phenylacetamide
CID 6343025
ethyl (2S,3E)-2-methyl-3-[(2-phenylacetyl)hydrazinylidene]butanoate
CID 40557193
N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3778528
2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide
CID 5152097
2-phenylacetic acid;N-(1-pyridin-4-ylethylideneamino)butanamide
CID 161253554
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640

Frequently Asked Questions

What is the IUPAC name of N-(pentan-2-ylideneamino)-2-phenylacetamide?
The IUPAC name of N-(pentan-2-ylideneamino)-2-phenylacetamide (CID 4057395) is N-(pentan-2-ylideneamino)-2-phenylacetamide.
What is the SMILES notation for N-(pentan-2-ylideneamino)-2-phenylacetamide?
The canonical SMILES for N-(pentan-2-ylideneamino)-2-phenylacetamide is CCCC(C)=NNC(=O)Cc1ccccc1.
What is the InChIKey of N-(pentan-2-ylideneamino)-2-phenylacetamide?
The InChIKey is VECJKJNRRWEBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-7-11(2)14-15-13(16)10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,15,16).
What are the key properties of N-(pentan-2-ylideneamino)-2-phenylacetamide?
N-(pentan-2-ylideneamino)-2-phenylacetamide has a molecular weight of 218.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pentan-2-ylideneamino)-2-phenylacetamide is sourced from PubChem (CID 4057395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).