1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate

C21H28N2O3 — CID 22889588

IUPAC1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESCCN(CC)c1ccc(NC(=O)OC(C)c2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C21H28N2O3/c1-6-23(7-2)18-10-13-20(15(3)14-18)22-21(24)26-16(4)17-8-11-19(25-5)12-9-17/h8-14,16H,6-7H2,1-5H3,(H,22,24)
InChIKeyOCXSWGIYXWSVCZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.16
Rot. Bonds7

About 1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate

1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate (PubChem CID 22889588) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate.

Molecular Properties

Compound Name1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
PubChem CID22889588
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESCCN(CC)c1ccc(NC(=O)OC(C)c2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C21H28N2O3/c1-6-23(7-2)18-10-13-20(15(3)14-18)22-21(24)26-16(4)17-8-11-19(25-5)12-9-17/h8-14,16H,6-7H2,1-5H3,(H,22,24)
InChIKeyOCXSWGIYXWSVCZ-UHFFFAOYSA-N
XLogP5.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 23514727
1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22955785
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955947
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143459
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001260
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
CID 959434
(2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide
CID 837387
propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate
CID 116655687
(2-cyano-1-phenylethyl) N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22948519

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The IUPAC name of 1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate (CID 22889588) is 1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate.
What is the SMILES notation for 1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The canonical SMILES for 1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate is CCN(CC)c1ccc(NC(=O)OC(C)c2ccc(OC)cc2)c(C)c1.
What is the InChIKey of 1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The InChIKey is OCXSWGIYXWSVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-6-23(7-2)18-10-13-20(15(3)14-18)22-21(24)26-16(4)17-8-11-19(25-5)12-9-17/h8-14,16H,6-7H2,1-5H3,(H,22,24).
What are the key properties of 1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate has a molecular weight of 356.47 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate is sourced from PubChem (CID 22889588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).