methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate

C21H17NO3 — CID 2179635

IUPACmethyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate
SMILESCOC(=O)/C(=C/c1ccccc1)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C21H17NO3/c1-25-21(24)19(14-15-8-3-2-4-9-15)22-20(23)18-13-7-11-16-10-5-6-12-17(16)18/h2-14H,1H3,(H,22,23)/b19-14-
InChIKeyROKGJIQTMIOJFY-RGEXLXHISA-N
MW331.37 g/mol
LogP3.78
Rot. Bonds4

About methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate

methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate (PubChem CID 2179635) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate
PubChem CID2179635
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Namemethyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate
SMILESCOC(=O)/C(=C/c1ccccc1)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C21H17NO3/c1-25-21(24)19(14-15-8-3-2-4-9-15)22-20(23)18-13-7-11-16-10-5-6-12-17(16)18/h2-14H,1H3,(H,22,23)/b19-14-
InChIKeyROKGJIQTMIOJFY-RGEXLXHISA-N
XLogP3.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate
CID 2178690
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415
(E)-3-[4-(2-iodophenoxy)phenyl]-2-(naphthalene-1-carbonylamino)prop-2-enoic acid
CID 22148545
methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate
CID 10315660
methyl (Z)-4-hydroxy-4-naphthalen-1-yl-2-oxobut-3-enoate
CID 17245071
methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate
CID 57075393
prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate
CID 2247969
2-[(2-chlorobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 2878599
(Z)-3-(4-methoxycarbonylphenyl)-2-naphthalen-1-ylprop-2-enoic acid
CID 83954143
N-[(2S)-4-methyl-1-[[(Z)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]amino]-1-oxopentan-2-yl]naphthalene-1-carboxamide
CID 101018812
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide
CID 22320844

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate?
The IUPAC name of methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate (CID 2179635) is methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate?
The canonical SMILES for methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate is COC(=O)/C(=C/c1ccccc1)NC(=O)c1cccc2ccccc12.
What is the InChIKey of methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate?
The InChIKey is ROKGJIQTMIOJFY-RGEXLXHISA-N. The full InChI is InChI=1S/C21H17NO3/c1-25-21(24)19(14-15-8-3-2-4-9-15)22-20(23)18-13-7-11-16-10-5-6-12-17(16)18/h2-14H,1H3,(H,22,23)/b19-14-.
What are the key properties of methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate?
methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate has a molecular weight of 331.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate is sourced from PubChem (CID 2179635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).