[3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate

C21H34N2O2 — CID 74428300

IUPAC[3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate
SMILESCC(c1cccc(OC(=O)N(C)C(C)CC2CCCCC2)c1)N(C)C
InChIInChI=1S/C21H34N2O2/c1-16(14-18-10-7-6-8-11-18)23(5)21(24)25-20-13-9-12-19(15-20)17(2)22(3)4/h9,12-13,15-18H,6-8,10-11,14H2,1-5H3
InChIKeyISRKDVFECZHTSK-UHFFFAOYSA-N
MW346.52 g/mol
LogP5.10
Rot. Bonds6

About [3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate

[3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate (PubChem CID 74428300) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is [3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Name[3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate
PubChem CID74428300
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name[3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate
SMILESCC(c1cccc(OC(=O)N(C)C(C)CC2CCCCC2)c1)N(C)C
InChIInChI=1S/C21H34N2O2/c1-16(14-18-10-7-6-8-11-18)23(5)21(24)25-20-13-9-12-19(15-20)17(2)22(3)4/h9,12-13,15-18H,6-8,10-11,14H2,1-5H3
InChIKeyISRKDVFECZHTSK-UHFFFAOYSA-N
XLogP5.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate
CID 143928747
[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride
CID 117069146
[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron
CID 23160019
[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate
CID 59825274
[3-[(1S)-1-[methyl(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate;hydrochloride
CID 171391643
[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N,N-bis(trideuteriomethyl)carbamate
CID 169437716
2,3-dihydroxybutanedioic acid;[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
CID 14254240
[3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate
CID 10777494
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267
N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide
CID 114457037
[3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate
CID 23037475
1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one
CID 68859179

Frequently Asked Questions

What is the IUPAC name of [3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate?
The IUPAC name of [3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate (CID 74428300) is [3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate.
What is the SMILES notation for [3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate?
The canonical SMILES for [3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate is CC(c1cccc(OC(=O)N(C)C(C)CC2CCCCC2)c1)N(C)C.
What is the InChIKey of [3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate?
The InChIKey is ISRKDVFECZHTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-16(14-18-10-7-6-8-11-18)23(5)21(24)25-20-13-9-12-19(15-20)17(2)22(3)4/h9,12-13,15-18H,6-8,10-11,14H2,1-5H3.
What are the key properties of [3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate?
[3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate has a molecular weight of 346.52 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate is sourced from PubChem (CID 74428300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).