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

C13H19NO2 — CID 40636094

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
SMILESCCCC(=O)N[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-4-6-13(15)14-10(2)11-7-5-8-12(9-11)16-3/h5,7-10H,4,6H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyBYRQUCGLELHWHG-JTQLQIEISA-N
MW221.30 g/mol
LogP2.67
Rot. Bonds5

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

N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide (PubChem CID 40636094) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
PubChem CID40636094
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
SMILESCCCC(=O)N[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-4-6-13(15)14-10(2)11-7-5-8-12(9-11)16-3/h5,7-10H,4,6H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyBYRQUCGLELHWHG-JTQLQIEISA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
CID 81373150
3-(4-methoxyphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 42563582
2-(butanoylamino)-2-(3-methoxyphenyl)acetic acid
CID 112508886
6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81353778
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
2-(2-aminophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 61102582
2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373008
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
2-(3-methoxyphenyl)hexan-3-one
CID 83047977

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide (CID 40636094) is N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide is CCCC(=O)N[C@@H](C)c1cccc(OC)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide?
The InChIKey is BYRQUCGLELHWHG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-6-13(15)14-10(2)11-7-5-8-12(9-11)16-3/h5,7-10H,4,6H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide?
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide has a molecular weight of 221.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 40636094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).