N-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide

C16H24N2O4 — CID 99872897

IUPACN-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCC[C@@H](CCO)c1ccccc1
InChIInChI=1S/C16H24N2O4/c1-22-12-10-18-16(21)15(20)17-9-7-14(8-11-19)13-5-3-2-4-6-13/h2-6,14,19H,7-12H2,1H3,(H,17,20)(H,18,21)/t14-/m0/s1
InChIKeyNFAGRIVQEFNGHQ-AWEZNQCLSA-N
MW308.38 g/mol
LogP0.42
Rot. Bonds9

About N-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide

N-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide (PubChem CID 99872897) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide
PubChem CID99872897
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCC[C@@H](CCO)c1ccccc1
InChIInChI=1S/C16H24N2O4/c1-22-12-10-18-16(21)15(20)17-9-7-14(8-11-19)13-5-3-2-4-6-13/h2-6,14,19H,7-12H2,1H3,(H,17,20)(H,18,21)/t14-/m0/s1
InChIKeyNFAGRIVQEFNGHQ-AWEZNQCLSA-N
XLogP0.42
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide?
The IUPAC name of N-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide (CID 99872897) is N-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide.
What is the SMILES notation for N-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide?
The canonical SMILES for N-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)NCC[C@@H](CCO)c1ccccc1.
What is the InChIKey of N-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide?
The InChIKey is NFAGRIVQEFNGHQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-22-12-10-18-16(21)15(20)17-9-7-14(8-11-19)13-5-3-2-4-6-13/h2-6,14,19H,7-12H2,1H3,(H,17,20)(H,18,21)/t14-/m0/s1.
What are the key properties of N-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide?
N-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide has a molecular weight of 308.38 g/mol, XLogP of 0.42, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide is sourced from PubChem (CID 99872897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).