N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide

C18H29N3O3 — CID 108525861

IUPACN'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)NCCCCCO)c(C)c1
InChIInChI=1S/C18H29N3O3/c1-4-21(5-2)15-9-10-16(14(3)13-15)20-18(24)17(23)19-11-7-6-8-12-22/h9-10,13,22H,4-8,11-12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyFGGFBINTVLRTPQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.06
Rot. Bonds9

About N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide

N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide (PubChem CID 108525861) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide.

Molecular Properties

Compound NameN'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide
PubChem CID108525861
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)NCCCCCO)c(C)c1
InChIInChI=1S/C18H29N3O3/c1-4-21(5-2)15-9-10-16(14(3)13-15)20-18(24)17(23)19-11-7-6-8-12-22/h9-10,13,22H,4-8,11-12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyFGGFBINTVLRTPQ-UHFFFAOYSA-N
XLogP2.06
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 124624751
1-[4-(diethylamino)-2-methylphenyl]-3-dodecylurea
CID 20826590
N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503202
N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108986593
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide
CID 113001639
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
CID 108522130
N'-(4-bromo-2-methylphenyl)-N-hexyloxamide
CID 47148018
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]-2-oxoheptadecanamide
CID 22957791
2-[4-(diethylamino)-2-methylanilino]ethanol
CID 67897103

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide?
The IUPAC name of N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide (CID 108525861) is N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide.
What is the SMILES notation for N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide?
The canonical SMILES for N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide is CCN(CC)c1ccc(NC(=O)C(=O)NCCCCCO)c(C)c1.
What is the InChIKey of N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide?
The InChIKey is FGGFBINTVLRTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-4-21(5-2)15-9-10-16(14(3)13-15)20-18(24)17(23)19-11-7-6-8-12-22/h9-10,13,22H,4-8,11-12H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide?
N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide has a molecular weight of 335.45 g/mol, XLogP of 2.06, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide is sourced from PubChem (CID 108525861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).