2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate

C21H24N2O4 — CID 75269062

IUPAC2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)C=Cc2ccc(C)cc2C)c1
InChIInChI=1S/C21H24N2O4/c1-15-7-8-17(16(2)13-15)9-10-20(24)22-18-5-4-6-19(14-18)23-21(25)27-12-11-26-3/h4-10,13-14H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyWOUZKXZAHINCCS-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.15
Rot. Bonds7

About 2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate

2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate (PubChem CID 75269062) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate
PubChem CID75269062
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)C=Cc2ccc(C)cc2C)c1
InChIInChI=1S/C21H24N2O4/c1-15-7-8-17(16(2)13-15)9-10-20(24)22-18-5-4-6-19(14-18)23-21(25)27-12-11-26-3/h4-10,13-14H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyWOUZKXZAHINCCS-UHFFFAOYSA-N
XLogP4.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl N-[3-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]phenyl]carbamate
CID 47740999
2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate
CID 76870567
2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate
CID 76870592
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
2-methoxyethyl N-[3-[3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoylamino]phenyl]carbamate
CID 76870565
3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4615195
(E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide
CID 86973808
2-(methylamino)ethyl N-(3-methylphenyl)carbamate
CID 79338222
(Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide
CID 22301699
2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 164980144
3-[4-(ethoxycarbonylamino)-2-methylphenyl]prop-2-enoic acid
CID 54971431
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
CID 44722441

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate (CID 75269062) is 2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate is COCCOC(=O)Nc1cccc(NC(=O)C=Cc2ccc(C)cc2C)c1.
What is the InChIKey of 2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate?
The InChIKey is WOUZKXZAHINCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-7-8-17(16(2)13-15)9-10-20(24)22-18-5-4-6-19(14-18)23-21(25)27-12-11-26-3/h4-10,13-14H,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate?
2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate has a molecular weight of 368.43 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate is sourced from PubChem (CID 75269062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).