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

C17H17NO3 — CID 67100741

IUPACN,N-bis[hydroxy(phenyl)methyl]prop-2-enamide
SMILESC=CC(=O)N(C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-2-15(19)18(16(20)13-9-5-3-6-10-13)17(21)14-11-7-4-8-12-14/h2-12,16-17,20-21H,1H2
InChIKeyMTADAMQYNFCENK-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.38
Rot. Bonds5

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

N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide (PubChem CID 67100741) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN,N-bis[hydroxy(phenyl)methyl]prop-2-enamide
PubChem CID67100741
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN,N-bis[hydroxy(phenyl)methyl]prop-2-enamide
SMILESC=CC(=O)N(C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-2-15(19)18(16(20)13-9-5-3-6-10-13)17(21)14-11-7-4-8-12-14/h2-12,16-17,20-21H,1H2
InChIKeyMTADAMQYNFCENK-UHFFFAOYSA-N
XLogP2.38
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[(1R)-1-phenylethyl]prop-2-enamide
CID 12031722
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
CID 11413337
N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 101152231
N-hydroxy-N-phenylprop-2-enamide
CID 11367183
1,1-diphenylbut-3-en-2-ol
CID 88826241
N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid
CID 70599028
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
N-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide
CID 118548317
1-chloro-N,N-dimethyl-1-phenylmethanamine;prop-2-enoic acid
CID 161381128
benzene;1-phenylprop-2-en-1-ol
CID 174884403
N,N-bis(1-hydroxyethyl)prop-2-enamide
CID 22665003
N-[hydroxy(phenyl)methyl]-N-methylbenzamide
CID 134892565

Frequently Asked Questions

What is the IUPAC name of N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide?
The IUPAC name of N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide (CID 67100741) is N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide.
What is the SMILES notation for N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide?
The canonical SMILES for N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide is C=CC(=O)N(C(O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide?
The InChIKey is MTADAMQYNFCENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-15(19)18(16(20)13-9-5-3-6-10-13)17(21)14-11-7-4-8-12-14/h2-12,16-17,20-21H,1H2.
What are the key properties of N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide?
N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide has a molecular weight of 283.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide is sourced from PubChem (CID 67100741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).