methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate

C19H21NO3 — CID 51032017

IUPACmethyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
SMILESCOC(=O)/C=C(\N[C@H](C)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H21NO3/c1-14(15-7-5-4-6-8-15)20-18(13-19(21)23-3)16-9-11-17(22-2)12-10-16/h4-14,20H,1-3H3/b18-13-/t14-/m1/s1
InChIKeyWCWHXLURICBNLV-VVTMIQRTSA-N
MW311.38 g/mol
LogP3.56
Rot. Bonds6

About methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate

methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate (PubChem CID 51032017) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
PubChem CID51032017
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namemethyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
SMILESCOC(=O)/C=C(\N[C@H](C)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H21NO3/c1-14(15-7-5-4-6-8-15)20-18(13-19(21)23-3)16-9-11-17(22-2)12-10-16/h4-14,20H,1-3H3/b18-13-/t14-/m1/s1
InChIKeyWCWHXLURICBNLV-VVTMIQRTSA-N
XLogP3.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.56
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)-3-[[(1S)-1-phenylethyl]amino]but-2-enoate
CID 11009469
ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
CID 15456276
methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate
CID 12660151
(E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide
CID 51411566
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
3-(4-methoxyphenyl)-4-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 20803221
methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate
CID 102577743
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
CID 82104513
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate?
The IUPAC name of methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate (CID 51032017) is methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate is COC(=O)/C=C(\N[C@H](C)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate?
The InChIKey is WCWHXLURICBNLV-VVTMIQRTSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(15-7-5-4-6-8-15)20-18(13-19(21)23-3)16-9-11-17(22-2)12-10-16/h4-14,20H,1-3H3/b18-13-/t14-/m1/s1.
What are the key properties of methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate?
methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate has a molecular weight of 311.38 g/mol, XLogP of 3.56, 6 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)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate is sourced from PubChem (CID 51032017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).