[3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate

C14H22N2O2 — CID 10848426

IUPAC[3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1cccc([14C@H](C)N(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1/i11+2
InChIKeyXSVMFMHYUFZWBK-RMVXSDPASA-N
MW252.33 g/mol
LogP2.76
Rot. Bonds4

About [3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate

[3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate (PubChem CID 10848426) has the molecular formula C14H22N2O2 and a molecular weight of 252.33 g/mol. Its IUPAC name is [3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate
PubChem CID10848426
Molecular FormulaC14H22N2O2
Molecular Weight252.33 g/mol
Exact Mass252.17
IUPAC Name[3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1cccc([14C@H](C)N(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1/i11+2
InChIKeyXSVMFMHYUFZWBK-RMVXSDPASA-N
XLogP2.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron
CID 23160019
[3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate
CID 10777494
(3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate
CID 68735329
[3-[(1S)-1-[methyl(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate;hydrochloride
CID 171391643
2,3-dihydroxybutanedioic acid;[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
CID 14254240
2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid
CID 116819537
[4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate
CID 163320558
[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N-ethyl-N-methylcarbamate
CID 134134429
2-[(3-ethylphenoxy)carbonyl-methylamino]acetic acid
CID 116819552
2-[1-[3-[ethyl(methyl)carbamoyl]oxyphenyl]ethoxycarbonyl]benzoic acid
CID 146474491
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
(3-methylphenyl) N-(2-cyanoethyl)-N-methylcarbamate
CID 116819905

Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate?
The IUPAC name of [3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate (CID 10848426) is [3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate is CCN(C)C(=O)Oc1cccc([14C@H](C)N(C)C)c1.
What is the InChIKey of [3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate?
The InChIKey is XSVMFMHYUFZWBK-RMVXSDPASA-N. The full InChI is InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1/i11+2.
What are the key properties of [3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate?
[3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate has a molecular weight of 252.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 10848426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).