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

C13H20N2O2 — CID 81364090

IUPAC4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc([C@H](C)NC(=O)CCCN)cc1
InChIInChI=1S/C13H20N2O2/c1-10(15-13(16)4-3-9-14)11-5-7-12(17-2)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyUOSRICXXGYUDDW-JTQLQIEISA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds6

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

4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide (PubChem CID 81364090) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
PubChem CID81364090
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc([C@H](C)NC(=O)CCCN)cc1
InChIInChI=1S/C13H20N2O2/c1-10(15-13(16)4-3-9-14)11-5-7-12(17-2)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyUOSRICXXGYUDDW-JTQLQIEISA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81371294
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81368822
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 66195262
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
CID 119269129
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide (CID 81364090) is 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide is COc1ccc([C@H](C)NC(=O)CCCN)cc1.
What is the InChIKey of 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
The InChIKey is UOSRICXXGYUDDW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(15-13(16)4-3-9-14)11-5-7-12(17-2)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 81364090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).