(2R)-2-benzyl-N-butyl-3-methylpentanamide

C17H27NO — CID 155243987

IUPAC(2R)-2-benzyl-N-butyl-3-methylpentanamide
SMILESCCCCNC(=O)[C@H](Cc1ccccc1)C(C)CC
InChIInChI=1S/C17H27NO/c1-4-6-12-18-17(19)16(14(3)5-2)13-15-10-8-7-9-11-15/h7-11,14,16H,4-6,12-13H2,1-3H3,(H,18,19)/t14?,16-/m1/s1
InChIKeyPCWXCDSPCFMTNB-BZSJEYESSA-N
MW261.41 g/mol
LogP3.81
Rot. Bonds8

About (2R)-2-benzyl-N-butyl-3-methylpentanamide

(2R)-2-benzyl-N-butyl-3-methylpentanamide (PubChem CID 155243987) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2R)-2-benzyl-N-butyl-3-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-benzyl-N-butyl-3-methylpentanamide
PubChem CID155243987
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2R)-2-benzyl-N-butyl-3-methylpentanamide
SMILESCCCCNC(=O)[C@H](Cc1ccccc1)C(C)CC
InChIInChI=1S/C17H27NO/c1-4-6-12-18-17(19)16(14(3)5-2)13-15-10-8-7-9-11-15/h7-11,14,16H,4-6,12-13H2,1-3H3,(H,18,19)/t14?,16-/m1/s1
InChIKeyPCWXCDSPCFMTNB-BZSJEYESSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
(2R)-2-benzyl-3-methyl-N-propylbutanamide
CID 143577799
2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide
CID 119430585
N-butyl-2-phenylpropanamide
CID 101453557
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
3-[[(2R)-2-benzyl-3-methylbutanoyl]amino]propanoic acid
CID 124682272
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
2-[benzyl(butanoyl)amino]-N-butylbutanamide
CID 132699427
N-[(2S)-1-(dodecylamino)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 12049932
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152610
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-butyl-3-methylpentanamide?
The IUPAC name of (2R)-2-benzyl-N-butyl-3-methylpentanamide (CID 155243987) is (2R)-2-benzyl-N-butyl-3-methylpentanamide.
What is the SMILES notation for (2R)-2-benzyl-N-butyl-3-methylpentanamide?
The canonical SMILES for (2R)-2-benzyl-N-butyl-3-methylpentanamide is CCCCNC(=O)[C@H](Cc1ccccc1)C(C)CC.
What is the InChIKey of (2R)-2-benzyl-N-butyl-3-methylpentanamide?
The InChIKey is PCWXCDSPCFMTNB-BZSJEYESSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-6-12-18-17(19)16(14(3)5-2)13-15-10-8-7-9-11-15/h7-11,14,16H,4-6,12-13H2,1-3H3,(H,18,19)/t14?,16-/m1/s1.
What are the key properties of (2R)-2-benzyl-N-butyl-3-methylpentanamide?
(2R)-2-benzyl-N-butyl-3-methylpentanamide has a molecular weight of 261.41 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-butyl-3-methylpentanamide is sourced from PubChem (CID 155243987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).