2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide

C17H27NO — CID 142050065

IUPAC2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide
SMILESCC(C)C(C)NC(=O)C(Cc1ccccc1)C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)14(5)18-17(19)16(13(3)4)11-15-9-7-6-8-10-15/h6-10,12-14,16H,11H2,1-5H3,(H,18,19)
InChIKeyYHRRXGQHBOTSSS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.66
Rot. Bonds6

About 2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide

2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide (PubChem CID 142050065) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide.

Molecular Properties

Compound Name2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide
PubChem CID142050065
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide
SMILESCC(C)C(C)NC(=O)C(Cc1ccccc1)C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)14(5)18-17(19)16(13(3)4)11-15-9-7-6-8-10-15/h6-10,12-14,16H,11H2,1-5H3,(H,18,19)
InChIKeyYHRRXGQHBOTSSS-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-benzyl-3-methyl-N-propylbutanamide
CID 143577799
2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide
CID 119430585
3-[[(2R)-2-benzyl-3-methylbutanoyl]amino]propanoic acid
CID 124682272
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467
3-[[(2S)-2-amino-3-carboxypropanoyl]amino]-2-benzylbutanoic acid
CID 67746832
2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride
CID 120651072
propan-2-yl (2R)-2-benzyl-3-methylbutanoate
CID 89429198
propan-2-yl (2S)-2-benzyl-3-methylbutanoate
CID 132595294
5-[[(2-benzyl-3-methylbutanoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110574
3-methyl-2-[(4-phenylphenyl)methyl]butanoic acid
CID 116930683
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide?
The IUPAC name of 2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide (CID 142050065) is 2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide.
What is the SMILES notation for 2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide?
The canonical SMILES for 2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide is CC(C)C(C)NC(=O)C(Cc1ccccc1)C(C)C.
What is the InChIKey of 2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide?
The InChIKey is YHRRXGQHBOTSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)14(5)18-17(19)16(13(3)4)11-15-9-7-6-8-10-15/h6-10,12-14,16H,11H2,1-5H3,(H,18,19).
What are the key properties of 2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide?
2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide has a molecular weight of 261.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide is sourced from PubChem (CID 142050065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).