methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate

C25H24N2O4 — CID 60578500

IUPACmethyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate
SMILESCOC(=O)N(C)c1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O4/c1-27(25(29)30-2)22-13-11-21(12-14-22)26-24(28)17-10-19-8-15-23(16-9-19)31-18-20-6-4-3-5-7-20/h3-17H,18H2,1-2H3,(H,26,28)/b17-10+
InChIKeyOLGNHAKGOXZAIU-LICLKQGHSA-N
MW416.48 g/mol
LogP5.12
Rot. Bonds7

About methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate

methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate (PubChem CID 60578500) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate
PubChem CID60578500
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Namemethyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate
SMILESCOC(=O)N(C)c1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O4/c1-27(25(29)30-2)22-13-11-21(12-14-22)26-24(28)17-10-19-8-15-23(16-9-19)31-18-20-6-4-3-5-7-20/h3-17H,18H2,1-2H3,(H,26,28)/b17-10+
InChIKeyOLGNHAKGOXZAIU-LICLKQGHSA-N
XLogP5.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.12
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

N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323
3-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)carbamothioyl]prop-2-enamide
CID 4947645
(E)-N-[4-(dimethylamino)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1190683
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide
CID 1472319
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591319
(E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867666
cyclohexyl 4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19175163
methyl N-[4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]phenyl]-N-methylcarbamate
CID 60578498
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 29194971
3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 4132325
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
(E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 134154267

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate (CID 60578500) is methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate is COC(=O)N(C)c1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate?
The InChIKey is OLGNHAKGOXZAIU-LICLKQGHSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-27(25(29)30-2)22-13-11-21(12-14-22)26-24(28)17-10-19-8-15-23(16-9-19)31-18-20-6-4-3-5-7-20/h3-17H,18H2,1-2H3,(H,26,28)/b17-10+.
What are the key properties of methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate?
methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate has a molecular weight of 416.48 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate is sourced from PubChem (CID 60578500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).