methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate

C22H19NO4 — CID 2178690

IUPACmethyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H19NO4/c1-26-17-12-10-15(11-13-17)14-20(22(25)27-2)23-21(24)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,1-2H3,(H,23,24)/b20-14-
InChIKeyKXHIXMVBKOYOCO-ZHZULCJRSA-N
MW361.40 g/mol
LogP3.79
Rot. Bonds5

About methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate

methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate (PubChem CID 2178690) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate
PubChem CID2178690
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namemethyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H19NO4/c1-26-17-12-10-15(11-13-17)14-20(22(25)27-2)23-21(24)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,1-2H3,(H,23,24)/b20-14-
InChIKeyKXHIXMVBKOYOCO-ZHZULCJRSA-N
XLogP3.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.79
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 (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate
CID 2179635
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415
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
(E)-3-[4-(2-iodophenoxy)phenyl]-2-(naphthalene-1-carbonylamino)prop-2-enoic acid
CID 22148545
methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate
CID 2180781
N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
CID 2896836
(E)-2-[(2-iodobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 26772050
N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 889716
N-[(Z)-1-(4-methoxyphenyl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2189607
N-[(E)-1-(4-methoxyphenyl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 1218137
2-chloro-N-[(Z)-3-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2280061

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate (CID 2178690) is methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate is COC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1cccc2ccccc12.
What is the InChIKey of methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate?
The InChIKey is KXHIXMVBKOYOCO-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H19NO4/c1-26-17-12-10-15(11-13-17)14-20(22(25)27-2)23-21(24)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,1-2H3,(H,23,24)/b20-14-.
What are the key properties of methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate?
methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate has a molecular weight of 361.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate is sourced from PubChem (CID 2178690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).