2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate

C20H22N2O4 — CID 76870567

IUPAC2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)C=Cc2cccc(C)c2)c1
InChIInChI=1S/C20H22N2O4/c1-15-5-3-6-16(13-15)9-10-19(23)21-17-7-4-8-18(14-17)22-20(24)26-12-11-25-2/h3-10,13-14H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBRJCBZZGOYDQPU-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.84
Rot. Bonds7

About 2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate

2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate (PubChem CID 76870567) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate
PubChem CID76870567
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)C=Cc2cccc(C)c2)c1
InChIInChI=1S/C20H22N2O4/c1-15-5-3-6-16(13-15)9-10-19(23)21-17-7-4-8-18(14-17)22-20(24)26-12-11-25-2/h3-10,13-14H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBRJCBZZGOYDQPU-UHFFFAOYSA-N
XLogP3.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.84
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-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate
CID 75269062
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
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 35334560
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907
ethyl [4-[[3-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930897
2-methoxyethyl N-[3-[3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoylamino]phenyl]carbamate
CID 76870565
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 164980144
N,N-dimethyl-3-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]benzamide
CID 33159074

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate (CID 76870567) is 2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate is COCCOC(=O)Nc1cccc(NC(=O)C=Cc2cccc(C)c2)c1.
What is the InChIKey of 2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate?
The InChIKey is BRJCBZZGOYDQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-15-5-3-6-16(13-15)9-10-19(23)21-17-7-4-8-18(14-17)22-20(24)26-12-11-25-2/h3-10,13-14H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate?
2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate has a molecular weight of 354.41 g/mol, XLogP of 3.84, 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-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate is sourced from PubChem (CID 76870567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).