3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide

C13H20N2O2 — CID 81363998

IUPAC3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc([C@H](C)NC(=O)CC(C)N)cc1
InChIInChI=1S/C13H20N2O2/c1-9(14)8-13(16)15-10(2)11-4-6-12(17-3)7-5-11/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t9?,10-/m0/s1
InChIKeyNBOABICAFWIDRN-AXDSSHIGSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds5

About 3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide

3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide (PubChem CID 81363998) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
PubChem CID81363998
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc([C@H](C)NC(=O)CC(C)N)cc1
InChIInChI=1S/C13H20N2O2/c1-9(14)8-13(16)15-10(2)11-4-6-12(17-3)7-5-11/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t9?,10-/m0/s1
InChIKeyNBOABICAFWIDRN-AXDSSHIGSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119693493
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
(3S)-3-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-methylhexanamide
CID 81368816
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide
CID 119720284
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100784179
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide (CID 81363998) is 3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide is COc1ccc([C@H](C)NC(=O)CC(C)N)cc1.
What is the InChIKey of 3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
The InChIKey is NBOABICAFWIDRN-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(14)8-13(16)15-10(2)11-4-6-12(17-3)7-5-11/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t9?,10-/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 81363998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).