4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide

C15H24N2O — CID 120562455

IUPAC4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide
SMILESCc1cc(C)cc(C(C)NC(=O)CCC(C)N)c1
InChIInChI=1S/C15H24N2O/c1-10-7-11(2)9-14(8-10)13(4)17-15(18)6-5-12(3)16/h7-9,12-13H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyLNJNQPFHIYKJSU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.61
Rot. Bonds5

About 4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide

4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide (PubChem CID 120562455) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide
PubChem CID120562455
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide
SMILESCc1cc(C)cc(C(C)NC(=O)CCC(C)N)c1
InChIInChI=1S/C15H24N2O/c1-10-7-11(2)9-14(8-10)13(4)17-15(18)6-5-12(3)16/h7-9,12-13H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyLNJNQPFHIYKJSU-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
CID 81361161
4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide
CID 120563508
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide
CID 120565817
4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119
4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 120563845
5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 82010904
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
ethyl 4-[[(1S)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoate
CID 81363588
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
CID 120560719
4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360738
5-amino-N-[1-(4-methylphenyl)propyl]hexanamide
CID 82848237

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide?
The IUPAC name of 4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide (CID 120562455) is 4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide?
The canonical SMILES for 4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide is Cc1cc(C)cc(C(C)NC(=O)CCC(C)N)c1.
What is the InChIKey of 4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide?
The InChIKey is LNJNQPFHIYKJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-7-11(2)9-14(8-10)13(4)17-15(18)6-5-12(3)16/h7-9,12-13H,5-6,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide?
4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide is sourced from PubChem (CID 120562455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).