methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate

C21H17NO4 — CID 10315660

IUPACmethyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate
SMILESCOC(=O)/C(=C\c1c(O)ccc2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C21H17NO4/c1-26-21(25)18(22-20(24)15-8-3-2-4-9-15)13-17-16-10-6-5-7-14(16)11-12-19(17)23/h2-13,23H,1H3,(H,22,24)/b18-13+
InChIKeyBGPVBWRRKXSRKM-QGOAFFKASA-N
MW347.37 g/mol
LogP3.49
Rot. Bonds4

About methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate

methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate (PubChem CID 10315660) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate
PubChem CID10315660
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Namemethyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate
SMILESCOC(=O)/C(=C\c1c(O)ccc2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C21H17NO4/c1-26-21(25)18(22-20(24)15-8-3-2-4-9-15)13-17-16-10-6-5-7-14(16)11-12-19(17)23/h2-13,23H,1H3,(H,22,24)/b18-13+
InChIKeyBGPVBWRRKXSRKM-QGOAFFKASA-N
XLogP3.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate
CID 134891901
methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 1376034
methyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 2836669
methyl 2-benzamido-4-methylpent-2-enoate
CID 71400450
methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate
CID 10093206
methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate
CID 14443750
methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate
CID 2179635
N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 20831549
N-[1-[4-(dimethylamino)phenyl]-3-[2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 3096619
N-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6184528
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415
N-[(Z)-3-[2-(5-chloro-6-oxo-1H-pyridazin-4-yl)-2-methylhydrazinyl]-1-(2-hydroxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5467759

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate?
The IUPAC name of methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate (CID 10315660) is methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate is COC(=O)/C(=C\c1c(O)ccc2ccccc12)NC(=O)c1ccccc1.
What is the InChIKey of methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate?
The InChIKey is BGPVBWRRKXSRKM-QGOAFFKASA-N. The full InChI is InChI=1S/C21H17NO4/c1-26-21(25)18(22-20(24)15-8-3-2-4-9-15)13-17-16-10-6-5-7-14(16)11-12-19(17)23/h2-13,23H,1H3,(H,22,24)/b18-13+.
What are the key properties of methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate?
methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate has a molecular weight of 347.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate is sourced from PubChem (CID 10315660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).