2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide

C13H20N2O2 — CID 61109501

IUPAC2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide
SMILESCOCC(C)N(C)C(=O)c1cccc(C)c1N
InChIInChI=1S/C13H20N2O2/c1-9-6-5-7-11(12(9)14)13(16)15(3)10(2)8-17-4/h5-7,10H,8,14H2,1-4H3
InChIKeyROUPMWCDKDIQIZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.68
Rot. Bonds4

About 2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide

2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide (PubChem CID 61109501) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide
PubChem CID61109501
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide
SMILESCOCC(C)N(C)C(=O)c1cccc(C)c1N
InChIInChI=1S/C13H20N2O2/c1-9-6-5-7-11(12(9)14)13(16)15(3)10(2)8-17-4/h5-7,10H,8,14H2,1-4H3
InChIKeyROUPMWCDKDIQIZ-UHFFFAOYSA-N
XLogP1.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 63110280
6-amino-N-(1-methoxypropan-2-yl)-N-methylpyridine-2-carboxamide;hydrochloride
CID 119999033
2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide
CID 61108147
N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
CID 115737352
2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 55135434
2-[1-methoxypropan-2-yl(methyl)amino]-3-methylbenzoic acid
CID 107112082
N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 62180129
2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide
CID 115936998
2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide
CID 62650764
2-hydroxypropyl 2-amino-3-methylbenzoate
CID 65279683
N-(4-amino-4-sulfanylidenebutan-2-yl)-N,2-dimethylbenzamide
CID 55174721

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide?
The IUPAC name of 2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide (CID 61109501) is 2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide.
What is the SMILES notation for 2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide?
The canonical SMILES for 2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide is COCC(C)N(C)C(=O)c1cccc(C)c1N.
What is the InChIKey of 2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide?
The InChIKey is ROUPMWCDKDIQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-6-5-7-11(12(9)14)13(16)15(3)10(2)8-17-4/h5-7,10H,8,14H2,1-4H3.
What are the key properties of 2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide?
2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide is sourced from PubChem (CID 61109501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).