N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide

C18H26N2O3 — CID 111490941

IUPACN'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NCC2CCCC2O)cc1
InChIInChI=1S/C18H26N2O3/c1-2-3-5-13-8-10-15(11-9-13)20-18(23)17(22)19-12-14-6-4-7-16(14)21/h8-11,14,16,21H,2-7,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyMQTHAVHYNIYACX-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.24
Rot. Bonds6

About N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide

N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide (PubChem CID 111490941) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
PubChem CID111490941
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NCC2CCCC2O)cc1
InChIInChI=1S/C18H26N2O3/c1-2-3-5-13-8-10-15(11-9-13)20-18(23)17(22)19-12-14-6-4-7-16(14)21/h8-11,14,16,21H,2-7,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyMQTHAVHYNIYACX-UHFFFAOYSA-N
XLogP2.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N'-(4-butylphenyl)-N-cycloheptyloxamide
CID 108502498
N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490961
N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490898
N'-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxamide
CID 108502535
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111471182
2-(azepan-1-yl)-N-(4-butylphenyl)-2-oxoacetamide
CID 108502414
(Z)-N-(4-butylphenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide
CID 108828019
N'-(1-adamantyl)-N-(4-butylphenyl)oxamide
CID 108502507
N'-(4-dodecylphenyl)oxamide
CID 118096540

Frequently Asked Questions

What is the IUPAC name of N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The IUPAC name of N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide (CID 111490941) is N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide.
What is the SMILES notation for N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The canonical SMILES for N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide is CCCCc1ccc(NC(=O)C(=O)NCC2CCCC2O)cc1.
What is the InChIKey of N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The InChIKey is MQTHAVHYNIYACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-3-5-13-8-10-15(11-9-13)20-18(23)17(22)19-12-14-6-4-7-16(14)21/h8-11,14,16,21H,2-7,12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide has a molecular weight of 318.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide is sourced from PubChem (CID 111490941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).