N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

C25H31N3O4 — CID 97007504

IUPACN'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
SMILESCc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C25H31N3O4/c1-17(2)16-22(19-9-5-4-8-18(19)3)27-24(30)23(29)26-21-11-7-6-10-20(21)25(31)28-12-14-32-15-13-28/h4-11,17,22H,12-16H2,1-3H3,(H,26,29)(H,27,30)/t22-/m0/s1
InChIKeyYPQQDMAOAAHGSE-QFIPXVFZSA-N
MW437.54 g/mol
LogP3.31
Rot. Bonds6

About N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide (PubChem CID 97007504) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
PubChem CID97007504
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
SMILESCc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C25H31N3O4/c1-17(2)16-22(19-9-5-4-8-18(19)3)27-24(30)23(29)26-21-11-7-6-10-20(21)25(31)28-12-14-32-15-13-28/h4-11,17,22H,12-16H2,1-3H3,(H,26,29)(H,27,30)/t22-/m0/s1
InChIKeyYPQQDMAOAAHGSE-QFIPXVFZSA-N
XLogP3.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide
CID 99697524
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 35326706
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
2-(4-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 4933116
N-[2-(morpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 2988771
2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793021
2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53284374
4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide
CID 35328091
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81374136
1-[[3-methyl-1-(2-methylphenyl)butyl]carbamoyl]piperidine-4-carboxylic acid
CID 122001930

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
The IUPAC name of N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide (CID 97007504) is N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide.
What is the SMILES notation for N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
The canonical SMILES for N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
The InChIKey is YPQQDMAOAAHGSE-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-17(2)16-22(19-9-5-4-8-18(19)3)27-24(30)23(29)26-21-11-7-6-10-20(21)25(31)28-12-14-32-15-13-28/h4-11,17,22H,12-16H2,1-3H3,(H,26,29)(H,27,30)/t22-/m0/s1.
What are the key properties of N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide has a molecular weight of 437.54 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is sourced from PubChem (CID 97007504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).