N,N,N',N'-tetrakis(2-methylpropyl)oxamide

C18H36N2O2 — CID 4523531

IUPACN,N,N',N'-tetrakis(2-methylpropyl)oxamide
SMILESCC(C)CN(CC(C)C)C(=O)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C18H36N2O2/c1-13(2)9-19(10-14(3)4)17(21)18(22)20(11-15(5)6)12-16(7)8/h13-16H,9-12H2,1-8H3
InChIKeyWQYCBQGBEHIPPY-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.27
Rot. Bonds8

About N,N,N',N'-tetrakis(2-methylpropyl)oxamide

N,N,N',N'-tetrakis(2-methylpropyl)oxamide (PubChem CID 4523531) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(2-methylpropyl)oxamide
PubChem CID4523531
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC NameN,N,N',N'-tetrakis(2-methylpropyl)oxamide
SMILESCC(C)CN(CC(C)C)C(=O)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C18H36N2O2/c1-13(2)9-19(10-14(3)4)17(21)18(22)20(11-15(5)6)12-16(7)8/h13-16H,9-12H2,1-8H3
InChIKeyWQYCBQGBEHIPPY-UHFFFAOYSA-N
XLogP3.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-methylpropyl)-2-oxopropanamide
CID 10910517
4-[bis(2-methylpropyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991347
N,N-dibenzyl-N',N'-bis(2-methylpropyl)oxamide
CID 108523671
S-methyl N,N-bis(2-methylpropyl)carbamothioate
CID 20780776
bis(2-methylpropyl)carbamoyl-oxophosphanium
CID 149152726
N-methyl-N',N'-bis(2-methylpropyl)-N-phenyloxamide
CID 108520978
3-methyl-1,1-bis(2-methylpropyl)urea
CID 15539164
(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide
CID 92660582
2-amino-N,N-bis(2-methylpropyl)propanamide
CID 43588746
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595
sulfanyl N,N-bis(2-methylpropyl)carbamate
CID 174893639
N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide
CID 108529511

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(2-methylpropyl)oxamide?
The IUPAC name of N,N,N',N'-tetrakis(2-methylpropyl)oxamide (CID 4523531) is N,N,N',N'-tetrakis(2-methylpropyl)oxamide.
What is the SMILES notation for N,N,N',N'-tetrakis(2-methylpropyl)oxamide?
The canonical SMILES for N,N,N',N'-tetrakis(2-methylpropyl)oxamide is CC(C)CN(CC(C)C)C(=O)C(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of N,N,N',N'-tetrakis(2-methylpropyl)oxamide?
The InChIKey is WQYCBQGBEHIPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-13(2)9-19(10-14(3)4)17(21)18(22)20(11-15(5)6)12-16(7)8/h13-16H,9-12H2,1-8H3.
What are the key properties of N,N,N',N'-tetrakis(2-methylpropyl)oxamide?
N,N,N',N'-tetrakis(2-methylpropyl)oxamide has a molecular weight of 312.50 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(2-methylpropyl)oxamide is sourced from PubChem (CID 4523531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).