N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide

C26H24N2O2 — CID 90809930

IUPACN'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
SMILESCC(NC(=O)C(=O)N[C@@H](C)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C26H24N2O2/c1-17(21-15-7-11-19-9-3-5-13-23(19)21)27-25(29)26(30)28-18(2)22-16-8-12-20-10-4-6-14-24(20)22/h3-18H,1-2H3,(H,27,29)(H,28,30)/t17-,18?/m0/s1
InChIKeyKMNUNKRWTDSYQZ-ZENAZSQFSA-N
MW396.49 g/mol
LogP5.05
Rot. Bonds4

About N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide

N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide (PubChem CID 90809930) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
PubChem CID90809930
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC NameN'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
SMILESCC(NC(=O)C(=O)N[C@@H](C)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C26H24N2O2/c1-17(21-15-7-11-19-9-3-5-13-23(19)21)27-25(29)26(30)28-18(2)22-16-8-12-20-10-4-6-14-24(20)22/h3-18H,1-2H3,(H,27,29)(H,28,30)/t17-,18?/m0/s1
InChIKeyKMNUNKRWTDSYQZ-ZENAZSQFSA-N
XLogP5.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
CID 14511505
2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 43346795
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
3-[[(1S)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562068
1-methyl-1-[(1R)-1-naphthalen-1-ylethyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 101424575
3-[[(1R)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562047
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide
CID 175711089
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457

Frequently Asked Questions

What is the IUPAC name of N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide?
The IUPAC name of N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide (CID 90809930) is N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide.
What is the SMILES notation for N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide?
The canonical SMILES for N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide is CC(NC(=O)C(=O)N[C@@H](C)c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide?
The InChIKey is KMNUNKRWTDSYQZ-ZENAZSQFSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-17(21-15-7-11-19-9-3-5-13-23(19)21)27-25(29)26(30)28-18(2)22-16-8-12-20-10-4-6-14-24(20)22/h3-18H,1-2H3,(H,27,29)(H,28,30)/t17-,18?/m0/s1.
What are the key properties of N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide?
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide has a molecular weight of 396.49 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide is sourced from PubChem (CID 90809930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).