N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide

C15H22N2O2 — CID 124506857

IUPACN'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide
SMILESCC[C@H](C)NC(=O)C(=O)NCCCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-3-12(2)17-15(19)14(18)16-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyOKHWZJZXMKWPMX-LBPRGKRZSA-N
MW262.35 g/mol
LogP1.65
Rot. Bonds6

About N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide

N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide (PubChem CID 124506857) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide
PubChem CID124506857
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide
SMILESCC[C@H](C)NC(=O)C(=O)NCCCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-3-12(2)17-15(19)14(18)16-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyOKHWZJZXMKWPMX-LBPRGKRZSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
(2S)-2-amino-N-(3-phenylpropyl)butanamide
CID 79024488
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
N'-[(2R)-butan-2-yl]-N-hexyloxamide
CID 126266523
3-(ethylamino)-N-(3-phenylpropyl)butanamide
CID 62839193
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108983990
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 42109135

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide?
The IUPAC name of N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide (CID 124506857) is N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide.
What is the SMILES notation for N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide?
The canonical SMILES for N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide is CC[C@H](C)NC(=O)C(=O)NCCCc1ccccc1.
What is the InChIKey of N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide?
The InChIKey is OKHWZJZXMKWPMX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-12(2)17-15(19)14(18)16-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,16,18)(H,17,19)/t12-/m0/s1.
What are the key properties of N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide?
N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide has a molecular weight of 262.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide is sourced from PubChem (CID 124506857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).