2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide

C16H26N2O — CID 43707477

IUPAC2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
SMILESCCC(NC(=O)C(N)C(C)CC)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-5-12(4)15(17)16(19)18-14(6-2)13-9-7-11(3)8-10-13/h7-10,12,14-15H,5-6,17H2,1-4H3,(H,18,19)
InChIKeyYCPAAUHZBLUASN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.94
Rot. Bonds6

About 2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide

2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide (PubChem CID 43707477) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
PubChem CID43707477
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
SMILESCCC(NC(=O)C(N)C(C)CC)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-5-12(4)15(17)16(19)18-14(6-2)13-9-7-11(3)8-10-13/h7-10,12,14-15H,5-6,17H2,1-4H3,(H,18,19)
InChIKeyYCPAAUHZBLUASN-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 112766085
(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide
CID 107568564
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705
4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid
CID 61162447
(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94843776
2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide
CID 43707473
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661
ethyl 2-[1-(4-methylphenyl)propylamino]propanoate
CID 54960073

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide (CID 43707477) is 2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide is CCC(NC(=O)C(N)C(C)CC)c1ccc(C)cc1.
What is the InChIKey of 2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide?
The InChIKey is YCPAAUHZBLUASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-12(4)15(17)16(19)18-14(6-2)13-9-7-11(3)8-10-13/h7-10,12,14-15H,5-6,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide?
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide has a molecular weight of 262.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide is sourced from PubChem (CID 43707477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).