N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide

C18H26N2O4 — CID 3749480

IUPACN',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)C(=O)N(CCO)CCO
InChIInChI=1S/C18H26N2O4/c21-12-10-20(11-13-22)17(24)16(23)19-14-18(8-4-5-9-18)15-6-2-1-3-7-15/h1-3,6-7,21-22H,4-5,8-14H2,(H,19,23)
InChIKeyRDJGWIRNEQKUFV-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.43
Rot. Bonds7

About N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide

N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide (PubChem CID 3749480) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide.

Molecular Properties

Compound NameN',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide
PubChem CID3749480
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)C(=O)N(CCO)CCO
InChIInChI=1S/C18H26N2O4/c21-12-10-20(11-13-22)17(24)16(23)19-14-18(8-4-5-9-18)15-6-2-1-3-7-15/h1-3,6-7,21-22H,4-5,8-14H2,(H,19,23)
InChIKeyRDJGWIRNEQKUFV-UHFFFAOYSA-N
XLogP0.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
CID 40566076
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
2-amino-2-methyl-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480032
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide
CID 7270600
2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 76857593
(2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 6935034
2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110443182
N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide
CID 87034810

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide?
The IUPAC name of N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide (CID 3749480) is N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide.
What is the SMILES notation for N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide?
The canonical SMILES for N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide is O=C(NCC1(c2ccccc2)CCCC1)C(=O)N(CCO)CCO.
What is the InChIKey of N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide?
The InChIKey is RDJGWIRNEQKUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c21-12-10-20(11-13-22)17(24)16(23)19-14-18(8-4-5-9-18)15-6-2-1-3-7-15/h1-3,6-7,21-22H,4-5,8-14H2,(H,19,23).
What are the key properties of N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide?
N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide has a molecular weight of 334.42 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide is sourced from PubChem (CID 3749480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).