5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide

C16H26N2O3 — CID 104684287

IUPAC5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide
SMILESCOc1cccc(CN(C)C(=O)C(C)CCCN)c1OC
InChIInChI=1S/C16H26N2O3/c1-12(7-6-10-17)16(19)18(2)11-13-8-5-9-14(20-3)15(13)21-4/h5,8-9,12H,6-7,10-11,17H2,1-4H3
InChIKeyMIEBHIPVCRWPLY-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.04
Rot. Bonds8

About 5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide

5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide (PubChem CID 104684287) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide
PubChem CID104684287
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide
SMILESCOc1cccc(CN(C)C(=O)C(C)CCCN)c1OC
InChIInChI=1S/C16H26N2O3/c1-12(7-6-10-17)16(19)18(2)11-13-8-5-9-14(20-3)15(13)21-4/h5,8-9,12H,6-7,10-11,17H2,1-4H3
InChIKeyMIEBHIPVCRWPLY-UHFFFAOYSA-N
XLogP2.04
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
CID 60936664
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 62856311
5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide
CID 104684407
2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate
CID 79346244
5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
CID 116613631
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 43470726
2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 19826571
1-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60937332
2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide
CID 146098683
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide?
The IUPAC name of 5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide (CID 104684287) is 5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide.
What is the SMILES notation for 5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide?
The canonical SMILES for 5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide is COc1cccc(CN(C)C(=O)C(C)CCCN)c1OC.
What is the InChIKey of 5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide?
The InChIKey is MIEBHIPVCRWPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(7-6-10-17)16(19)18(2)11-13-8-5-9-14(20-3)15(13)21-4/h5,8-9,12H,6-7,10-11,17H2,1-4H3.
What are the key properties of 5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide?
5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide has a molecular weight of 294.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide is sourced from PubChem (CID 104684287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).