2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide

C16H26N2O — CID 43702138

IUPAC2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
SMILESCCC(C)c1ccc(NC(=O)C(N)C(C)CC)cc1
InChIInChI=1S/C16H26N2O/c1-5-11(3)13-7-9-14(10-8-13)18-16(19)15(17)12(4)6-2/h7-12,15H,5-6,17H2,1-4H3,(H,18,19)
InChIKeySANVXRFRPZPMBX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.51
Rot. Bonds6

About 2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide

2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide (PubChem CID 43702138) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
PubChem CID43702138
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
SMILESCCC(C)c1ccc(NC(=O)C(N)C(C)CC)cc1
InChIInChI=1S/C16H26N2O/c1-5-11(3)13-7-9-14(10-8-13)18-16(19)15(17)12(4)6-2/h7-12,15H,5-6,17H2,1-4H3,(H,18,19)
InChIKeySANVXRFRPZPMBX-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(2-amino-3-methylpentanoyl)amino]phenyl]butanoic acid
CID 104503054
3-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]butanoic acid
CID 104502997
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2S,3S)-2-amino-3-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148897
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide (CID 43702138) is 2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide is CCC(C)c1ccc(NC(=O)C(N)C(C)CC)cc1.
What is the InChIKey of 2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide?
The InChIKey is SANVXRFRPZPMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-11(3)13-7-9-14(10-8-13)18-16(19)15(17)12(4)6-2/h7-12,15H,5-6,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide?
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide has a molecular weight of 262.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide is sourced from PubChem (CID 43702138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).