(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate

C13H20N2O3 — CID 127523781

IUPAC(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
SMILESCOc1ccc(COC(=O)NCCN(C)C)cc1
InChIInChI=1S/C13H20N2O3/c1-15(2)9-8-14-13(16)18-10-11-4-6-12(17-3)7-5-11/h4-7H,8-10H2,1-3H3,(H,14,16)
InChIKeyQVUXZVKBKRUHCH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.48
Rot. Bonds6

About (4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate

(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate (PubChem CID 127523781) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
PubChem CID127523781
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
SMILESCOc1ccc(COC(=O)NCCN(C)C)cc1
InChIInChI=1S/C13H20N2O3/c1-15(2)9-8-14-13(16)18-10-11-4-6-12(17-3)7-5-11/h4-7H,8-10H2,1-3H3,(H,14,16)
InChIKeyQVUXZVKBKRUHCH-UHFFFAOYSA-N
XLogP1.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
CID 170086914
[4-[2-(dimethylamino)ethylcarbamoyloxymethyl]phenyl] sulfite
CID 137403485
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221
benzyl N-[2-(4-methoxyphenyl)ethyl]carbamate;chloromethylbenzene;2-(4-methoxyphenyl)ethanamine
CID 158225317
N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
CID 109016275
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547
(4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate
CID 178047319
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl silylformate
CID 123289214
1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea
CID 10268959

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate (CID 127523781) is (4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate is COc1ccc(COC(=O)NCCN(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate?
The InChIKey is QVUXZVKBKRUHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(2)9-8-14-13(16)18-10-11-4-6-12(17-3)7-5-11/h4-7H,8-10H2,1-3H3,(H,14,16).
What are the key properties of (4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate?
(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate has a molecular weight of 252.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate is sourced from PubChem (CID 127523781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).