dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid

C11H16N2O3 — CID 90758333

IUPACdimethylamino-[(3-methoxyphenyl)methyl]carbamic acid
SMILESCOc1cccc(CN(C(=O)O)N(C)C)c1
InChIInChI=1S/C11H16N2O3/c1-12(2)13(11(14)15)8-9-5-4-6-10(7-9)16-3/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyDSJHYVSYUGVVOR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.65
Rot. Bonds4

About dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid

dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid (PubChem CID 90758333) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid.

Molecular Properties

Compound Namedimethylamino-[(3-methoxyphenyl)methyl]carbamic acid
PubChem CID90758333
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namedimethylamino-[(3-methoxyphenyl)methyl]carbamic acid
SMILESCOc1cccc(CN(C(=O)O)N(C)C)c1
InChIInChI=1S/C11H16N2O3/c1-12(2)13(11(14)15)8-9-5-4-6-10(7-9)16-3/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyDSJHYVSYUGVVOR-UHFFFAOYSA-N
XLogP1.65
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
5-[(3-methoxyphenyl)methyl-methylamino]pentanoic acid
CID 61417598
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
3-[(3-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369981
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea
CID 134104762
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 78787642

Frequently Asked Questions

What is the IUPAC name of dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid?
The IUPAC name of dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid (CID 90758333) is dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid.
What is the SMILES notation for dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid?
The canonical SMILES for dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid is COc1cccc(CN(C(=O)O)N(C)C)c1.
What is the InChIKey of dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid?
The InChIKey is DSJHYVSYUGVVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-12(2)13(11(14)15)8-9-5-4-6-10(7-9)16-3/h4-7H,8H2,1-3H3,(H,14,15).
What are the key properties of dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid?
dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid has a molecular weight of 224.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid is sourced from PubChem (CID 90758333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).