2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide

C17H28N2O2 — CID 81353670

IUPAC2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
SMILESCOc1cccc([C@@H](C)NC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-12(2)9-10-18-17(20)14(4)19-13(3)15-7-6-8-16(11-15)21-5/h6-8,11-14,19H,9-10H2,1-5H3,(H,18,20)/t13-,14?/m1/s1
InChIKeyFGLOKGBNDRSPOG-KWCCSABGSA-N
MW292.42 g/mol
LogP2.90
Rot. Bonds8

About 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide

2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide (PubChem CID 81353670) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
PubChem CID81353670
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
SMILESCOc1cccc([C@@H](C)NC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-12(2)9-10-18-17(20)14(4)19-13(3)15-7-6-8-16(11-15)21-5/h6-8,11-14,19H,9-10H2,1-5H3,(H,18,20)/t13-,14?/m1/s1
InChIKeyFGLOKGBNDRSPOG-KWCCSABGSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115588995
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 43112828
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
methyl 2-[1-(3-methoxyphenyl)ethylamino]-4-methylpentanoate
CID 43689061
2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 119064075
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea
CID 111115159
2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675083
(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61179411

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide (CID 81353670) is 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide is COc1cccc([C@@H](C)NC(C)C(=O)NCCC(C)C)c1.
What is the InChIKey of 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide?
The InChIKey is FGLOKGBNDRSPOG-KWCCSABGSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)9-10-18-17(20)14(4)19-13(3)15-7-6-8-16(11-15)21-5/h6-8,11-14,19H,9-10H2,1-5H3,(H,18,20)/t13-,14?/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide?
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 81353670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).