5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide

C15H24N2O — CID 113441068

IUPAC5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide
SMILESCc1cccc([C@H](C)NC(=O)C(C)CCCN)c1
InChIInChI=1S/C15H24N2O/c1-11-6-4-8-14(10-11)13(3)17-15(18)12(2)7-5-9-16/h4,6,8,10,12-13H,5,7,9,16H2,1-3H3,(H,17,18)/t12?,13-/m0/s1
InChIKeyRHDQBGBUUFOOPN-ABLWVSNPSA-N
MW248.37 g/mol
LogP2.55
Rot. Bonds6

About 5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide

5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide (PubChem CID 113441068) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide
PubChem CID113441068
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide
SMILESCc1cccc([C@H](C)NC(=O)C(C)CCCN)c1
InChIInChI=1S/C15H24N2O/c1-11-6-4-8-14(10-11)13(3)17-15(18)12(2)7-5-9-16/h4,6,8,10,12-13H,5,7,9,16H2,1-3H3,(H,17,18)/t12?,13-/m0/s1
InChIKeyRHDQBGBUUFOOPN-ABLWVSNPSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide
CID 104683795
4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360738
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
CID 81361161
5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104683857
5-amino-2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 104685412
(2S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2-methylhexanamide
CID 100733908
methyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanoate
CID 103980274
(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate
CID 81361011

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide?
The IUPAC name of 5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide (CID 113441068) is 5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide is Cc1cccc([C@H](C)NC(=O)C(C)CCCN)c1.
What is the InChIKey of 5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide?
The InChIKey is RHDQBGBUUFOOPN-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-4-8-14(10-11)13(3)17-15(18)12(2)7-5-9-16/h4,6,8,10,12-13H,5,7,9,16H2,1-3H3,(H,17,18)/t12?,13-/m0/s1.
What are the key properties of 5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide?
5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide is sourced from PubChem (CID 113441068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).