methyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate

C18H17NO4 — CID 71494026

IUPACmethyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate
SMILESC=C(C(=O)OC)N(Cc1ccccc1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C18H17NO4/c1-13(18(22)23-2)19(12-14-6-4-3-5-7-14)17(21)15-8-10-16(20)11-9-15/h3-11,20H,1,12H2,2H3
InChIKeyJBWZFWBEMHNFDR-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.72
Rot. Bonds5

About methyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate

methyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate (PubChem CID 71494026) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate
PubChem CID71494026
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namemethyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate
SMILESC=C(C(=O)OC)N(Cc1ccccc1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C18H17NO4/c1-13(18(22)23-2)19(12-14-6-4-3-5-7-14)17(21)15-8-10-16(20)11-9-15/h3-11,20H,1,12H2,2H3
InChIKeyJBWZFWBEMHNFDR-UHFFFAOYSA-N
XLogP2.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[acetyl(benzyl)amino]prop-2-enoate
CID 11776154
N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide
CID 80663058
methyl N-benzyl-N-methoxycarbonylcarbamate
CID 23462472
methyl 2-[phenylmethoxycarbonyl(prop-2-enyl)amino]prop-2-enoate
CID 68854413
methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418
N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride
CID 174468605
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide
CID 101117712
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate
CID 101441426
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624891
methyl 2-benzylprop-2-enoate
CID 575761
tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate
CID 91938097

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate?
The IUPAC name of methyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate (CID 71494026) is methyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate.
What is the SMILES notation for methyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate?
The canonical SMILES for methyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate is C=C(C(=O)OC)N(Cc1ccccc1)C(=O)c1ccc(O)cc1.
What is the InChIKey of methyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate?
The InChIKey is JBWZFWBEMHNFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-13(18(22)23-2)19(12-14-6-4-3-5-7-14)17(21)15-8-10-16(20)11-9-15/h3-11,20H,1,12H2,2H3.
What are the key properties of methyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate?
methyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate has a molecular weight of 311.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl-(4-hydroxybenzoyl)amino]prop-2-enoate is sourced from PubChem (CID 71494026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).