N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide

C16H15NO2 — CID 139541646

IUPACN-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(C(O)c2ccccc2)c1
InChIInChI=1S/C16H15NO2/c1-2-15(18)17-14-10-6-9-13(11-14)16(19)12-7-4-3-5-8-12/h2-11,16,19H,1H2,(H,17,18)
InChIKeyGTANYXBPIAIJAO-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.89
Rot. Bonds4

About N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide

N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide (PubChem CID 139541646) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide
PubChem CID139541646
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(C(O)c2ccccc2)c1
InChIInChI=1S/C16H15NO2/c1-2-15(18)17-14-10-6-9-13(11-14)16(19)12-7-4-3-5-8-12/h2-11,16,19H,1H2,(H,17,18)
InChIKeyGTANYXBPIAIJAO-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[amino-(2-amino-4-phenylphenyl)methyl]phenyl]prop-2-enamide
CID 153372527
N-(3-tert-butylphenyl)prop-2-enamide
CID 59788882
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(prop-2-enoylamino)benzamide
CID 167864313
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-[3-anilino-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide
CID 144970793
1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
CID 58616042
N-[3-[2-amino-4-[[(1R)-1-phenylethyl]amino]-3-pyridinyl]phenyl]prop-2-enamide
CID 90209235
ethane;N-(3-nitrophenyl)prop-2-enamide
CID 142347687
N-methyl-N'-[3-(prop-2-enoylamino)phenyl]hexanediamide
CID 176658627
N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 21498516

Frequently Asked Questions

What is the IUPAC name of N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide (CID 139541646) is N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(C(O)c2ccccc2)c1.
What is the InChIKey of N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide?
The InChIKey is GTANYXBPIAIJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-15(18)17-14-10-6-9-13(11-14)16(19)12-7-4-3-5-8-12/h2-11,16,19H,1H2,(H,17,18).
What are the key properties of N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide?
N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide has a molecular weight of 253.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 139541646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).