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

C13H20N2O — CID 81360738

IUPAC4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
SMILESCc1cccc([C@H](C)NC(=O)CCCN)c1
InChIInChI=1S/C13H20N2O/c1-10-5-3-6-12(9-10)11(2)15-13(16)7-4-8-14/h3,5-6,9,11H,4,7-8,14H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyJPTZFVOBFZDEHL-NSHDSACASA-N
MW220.32 g/mol
LogP1.91
Rot. Bonds5

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

4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide (PubChem CID 81360738) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
PubChem CID81360738
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
SMILESCc1cccc([C@H](C)NC(=O)CCCN)c1
InChIInChI=1S/C13H20N2O/c1-10-5-3-6-12(9-10)11(2)15-13(16)7-4-8-14/h3,5-6,9,11H,4,7-8,14H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyJPTZFVOBFZDEHL-NSHDSACASA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
4-(methylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360998
4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
CID 81361161
4-[[(1R)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 81363109
3-chloro-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81361298
ethyl 4-[[(1S)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoate
CID 81363588
5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide
CID 81376172
5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide
CID 113441068
6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide
CID 81366520
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide (CID 81360738) is 4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide is Cc1cccc([C@H](C)NC(=O)CCCN)c1.
What is the InChIKey of 4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide?
The InChIKey is JPTZFVOBFZDEHL-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-3-6-12(9-10)11(2)15-13(16)7-4-8-14/h3,5-6,9,11H,4,7-8,14H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide?
4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide has a molecular weight of 220.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 81360738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).