5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide

C16H26N2O2 — CID 104684407

IUPAC5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)C(C)CCCN
InChIInChI=1S/C16H26N2O2/c1-12(8-7-11-17)16(19)18(3)13(2)14-9-5-6-10-15(14)20-4/h5-6,9-10,12-13H,7-8,11,17H2,1-4H3
InChIKeyWPBLIPNMDIOLFO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.59
Rot. Bonds7

About 5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide

5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide (PubChem CID 104684407) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide
PubChem CID104684407
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)C(C)CCCN
InChIInChI=1S/C16H26N2O2/c1-12(8-7-11-17)16(19)18(3)13(2)14-9-5-6-10-15(14)20-4/h5-6,9-10,12-13H,7-8,11,17H2,1-4H3
InChIKeyWPBLIPNMDIOLFO-UHFFFAOYSA-N
XLogP2.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpentanamide
CID 104684604
5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
CID 116613631
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpropanamide
CID 62853456
5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide
CID 104684287
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate
CID 94157373
5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one
CID 116613517
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one
CID 116574362

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide?
The IUPAC name of 5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide (CID 104684407) is 5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide.
What is the SMILES notation for 5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide?
The canonical SMILES for 5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide is COc1ccccc1C(C)N(C)C(=O)C(C)CCCN.
What is the InChIKey of 5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide?
The InChIKey is WPBLIPNMDIOLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(8-7-11-17)16(19)18(3)13(2)14-9-5-6-10-15(14)20-4/h5-6,9-10,12-13H,7-8,11,17H2,1-4H3.
What are the key properties of 5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide?
5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide is sourced from PubChem (CID 104684407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).