(Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one

C18H19NO3 — CID 10334800

IUPAC(Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESC/C(=C/N(C)O)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-14(12-19(2)21)18(20)16-8-10-17(11-9-16)22-13-15-6-4-3-5-7-15/h3-12,21H,13H2,1-2H3/b14-12-
InChIKeyVOQPQTCXPBXJFA-OWBHPGMISA-N
MW297.35 g/mol
LogP3.67
Rot. Bonds6

About (Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one

(Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one (PubChem CID 10334800) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one
PubChem CID10334800
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESC/C(=C/N(C)O)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-14(12-19(2)21)18(20)16-8-10-17(11-9-16)22-13-15-6-4-3-5-7-15/h3-12,21H,13H2,1-2H3/b14-12-
InChIKeyVOQPQTCXPBXJFA-OWBHPGMISA-N
XLogP3.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenylmethoxybenzoic acid
CID 68896574
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
4-phenylmethoxybenzoyl fluoride
CID 154719359
1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene
CID 174702453
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
N-methyl-4-phenylmethoxybenzamide
CID 2996745
1-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 51050714
2-fluoro-3-(4-phenylmethoxyphenyl)but-2-enoic acid
CID 79736838
3-acetamido-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 91030001
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
acetamido 4-phenylmethoxybenzoate
CID 174287466

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one (CID 10334800) is (Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one is C/C(=C/N(C)O)C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The InChIKey is VOQPQTCXPBXJFA-OWBHPGMISA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(12-19(2)21)18(20)16-8-10-17(11-9-16)22-13-15-6-4-3-5-7-15/h3-12,21H,13H2,1-2H3/b14-12-.
What are the key properties of (Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one?
(Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one has a molecular weight of 297.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[hydroxy(methyl)amino]-2-methyl-1-(4-phenylmethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 10334800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).