(2R)-2-benzyl-3-methyl-N-propylbutanamide

C15H23NO — CID 143577799

IUPAC(2R)-2-benzyl-3-methyl-N-propylbutanamide
SMILESCCCNC(=O)[C@H](Cc1ccccc1)C(C)C
InChIInChI=1S/C15H23NO/c1-4-10-16-15(17)14(12(2)3)11-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,16,17)/t14-/m1/s1
InChIKeyDCCMHJFXTTZWQD-CQSZACIVSA-N
MW233.35 g/mol
LogP3.03
Rot. Bonds6

About (2R)-2-benzyl-3-methyl-N-propylbutanamide

(2R)-2-benzyl-3-methyl-N-propylbutanamide (PubChem CID 143577799) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (2R)-2-benzyl-3-methyl-N-propylbutanamide.

Molecular Properties

Compound Name(2R)-2-benzyl-3-methyl-N-propylbutanamide
PubChem CID143577799
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(2R)-2-benzyl-3-methyl-N-propylbutanamide
SMILESCCCNC(=O)[C@H](Cc1ccccc1)C(C)C
InChIInChI=1S/C15H23NO/c1-4-10-16-15(17)14(12(2)3)11-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,16,17)/t14-/m1/s1
InChIKeyDCCMHJFXTTZWQD-CQSZACIVSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(2R)-2-benzyl-3-methylbutanoyl]amino]propanoic acid
CID 124682272
2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide
CID 119430585
2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride
CID 120651072
(2R)-2-benzyl-N-butyl-3-methylpentanamide
CID 155243987
2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide
CID 142050065
2-[1-oxo-1-(propylamino)propan-2-yl]sulfinyl-3-phenylpropanoic acid
CID 60982139
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
5-[[(2-benzyl-3-methylbutanoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110574
(2S)-2-benzyl-3-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]butanamide
CID 97215411
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-3-methyl-N-propylbutanamide?
The IUPAC name of (2R)-2-benzyl-3-methyl-N-propylbutanamide (CID 143577799) is (2R)-2-benzyl-3-methyl-N-propylbutanamide.
What is the SMILES notation for (2R)-2-benzyl-3-methyl-N-propylbutanamide?
The canonical SMILES for (2R)-2-benzyl-3-methyl-N-propylbutanamide is CCCNC(=O)[C@H](Cc1ccccc1)C(C)C.
What is the InChIKey of (2R)-2-benzyl-3-methyl-N-propylbutanamide?
The InChIKey is DCCMHJFXTTZWQD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-10-16-15(17)14(12(2)3)11-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,16,17)/t14-/m1/s1.
What are the key properties of (2R)-2-benzyl-3-methyl-N-propylbutanamide?
(2R)-2-benzyl-3-methyl-N-propylbutanamide has a molecular weight of 233.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-3-methyl-N-propylbutanamide is sourced from PubChem (CID 143577799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).