4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide

C16H26N2O — CID 120563508

IUPAC4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide
SMILESCc1cc(C)cc(CC(C)NC(=O)CCC(C)N)c1
InChIInChI=1S/C16H26N2O/c1-11-7-12(2)9-15(8-11)10-14(4)18-16(19)6-5-13(3)17/h7-9,13-14H,5-6,10,17H2,1-4H3,(H,18,19)
InChIKeyIJCLGXLFXSASLC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.48
Rot. Bonds6

About 4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide

4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide (PubChem CID 120563508) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide
PubChem CID120563508
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide
SMILESCc1cc(C)cc(CC(C)NC(=O)CCC(C)N)c1
InChIInChI=1S/C16H26N2O/c1-11-7-12(2)9-15(8-11)10-14(4)18-16(19)6-5-13(3)17/h7-9,13-14H,5-6,10,17H2,1-4H3,(H,18,19)
InChIKeyIJCLGXLFXSASLC-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide
CID 119336726
4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide
CID 120562455
N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide
CID 71998958
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 71998957
(2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide
CID 119806715
N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 122142633
3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide
CID 95930302
4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
CID 120561607
6-amino-1-(3,5-dimethylphenyl)heptan-2-one
CID 116609997
(6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide
CID 122137895
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119806695
4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
CID 81361161

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide?
The IUPAC name of 4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide (CID 120563508) is 4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide.
What is the SMILES notation for 4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide?
The canonical SMILES for 4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide is Cc1cc(C)cc(CC(C)NC(=O)CCC(C)N)c1.
What is the InChIKey of 4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide?
The InChIKey is IJCLGXLFXSASLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-7-12(2)9-15(8-11)10-14(4)18-16(19)6-5-13(3)17/h7-9,13-14H,5-6,10,17H2,1-4H3,(H,18,19).
What are the key properties of 4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide?
4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide has a molecular weight of 262.40 g/mol, XLogP of 2.48, 6 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)propan-2-yl]pentanamide is sourced from PubChem (CID 120563508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).