2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate

C12H18N2O2 — CID 44722441

IUPAC2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OCCN(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-10-5-4-6-11(9-10)13-12(15)16-8-7-14(2)3/h4-6,9H,7-8H2,1-3H3,(H,13,15)
InChIKeyWBPYDNXPLLAIQA-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.11
Rot. Bonds4

About 2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate

2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate (PubChem CID 44722441) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
PubChem CID44722441
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OCCN(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-10-5-4-6-11(9-10)13-12(15)16-8-7-14(2)3/h4-6,9H,7-8H2,1-3H3,(H,13,15)
InChIKeyWBPYDNXPLLAIQA-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
2-(methylamino)ethyl N-(3-methylphenyl)carbamate
CID 79338222
2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 164980144
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
(2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate
CID 79338375
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
(E)-4-(dimethylamino)-N-(3-methylphenyl)but-2-enamide
CID 118034064
2-(dimethylamino)ethyl N-(2-ethyl-6-methylphenyl)carbamate
CID 44722433
2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate
CID 65173309
1-(3-bromopropyl)-1-methyl-3-(3-methylphenyl)urea
CID 106441564
2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride
CID 138398477

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate?
The IUPAC name of 2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate (CID 44722441) is 2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate.
What is the SMILES notation for 2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate?
The canonical SMILES for 2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)OCCN(C)C)c1.
What is the InChIKey of 2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate?
The InChIKey is WBPYDNXPLLAIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10-5-4-6-11(9-10)13-12(15)16-8-7-14(2)3/h4-6,9H,7-8H2,1-3H3,(H,13,15).
What are the key properties of 2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate?
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate has a molecular weight of 222.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate is sourced from PubChem (CID 44722441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).