2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide

C16H26N2O2 — CID 67677430

IUPAC2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide
SMILESCC(C)CCNCC(O)C(Cc1ccccc1)C(N)=O
InChIInChI=1S/C16H26N2O2/c1-12(2)8-9-18-11-15(19)14(16(17)20)10-13-6-4-3-5-7-13/h3-7,12,14-15,18-19H,8-11H2,1-2H3,(H2,17,20)
InChIKeyCNWUXQYTNXHAKE-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.33
Rot. Bonds9

About 2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide

2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide (PubChem CID 67677430) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide.

Molecular Properties

Compound Name2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide
PubChem CID67677430
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide
SMILESCC(C)CCNCC(O)C(Cc1ccccc1)C(N)=O
InChIInChI=1S/C16H26N2O2/c1-12(2)8-9-18-11-15(19)14(16(17)20)10-13-6-4-3-5-7-13/h3-7,12,14-15,18-19H,8-11H2,1-2H3,(H2,17,20)
InChIKeyCNWUXQYTNXHAKE-UHFFFAOYSA-N
XLogP1.33
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S,3R)-3-hydroxy-4-(3-methylbutylamino)-1-phenylbutan-2-yl]carbamate
CID 91526659
2-benzyl-3-hydroxy-3-(methylamino)propanamide
CID 174250147
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
2-[(2S,3R)-3-hydroxy-1-(3-methoxyphenyl)-4-(3-methylbutylamino)butan-2-yl]-N',N'-dipropylpentanediamide
CID 68611646
benzyl 4-amino-3-benzyl-2-methyl-4-oxobutanoate
CID 90829390
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
CID 76601807
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467
(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol
CID 68607283
3-methyl-2-(1-phenylpropan-2-ylamino)butanamide
CID 106344213
ethyl 2-benzyl-3-hydroxyhexanoate
CID 134853996
(4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide
CID 68900392

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide?
The IUPAC name of 2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide (CID 67677430) is 2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide.
What is the SMILES notation for 2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide?
The canonical SMILES for 2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide is CC(C)CCNCC(O)C(Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide?
The InChIKey is CNWUXQYTNXHAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)8-9-18-11-15(19)14(16(17)20)10-13-6-4-3-5-7-13/h3-7,12,14-15,18-19H,8-11H2,1-2H3,(H2,17,20).
What are the key properties of 2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide?
2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide has a molecular weight of 278.40 g/mol, XLogP of 1.33, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide is sourced from PubChem (CID 67677430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).