N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide

C14H29N3O2 — CID 108529511

IUPACN-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide
SMILESCC(C)CN(CC(C)C)C(=O)C(=O)NCCN(C)C
InChIInChI=1S/C14H29N3O2/c1-11(2)9-17(10-12(3)4)14(19)13(18)15-7-8-16(5)6/h11-12H,7-10H2,1-6H3,(H,15,18)
InChIKeyCMJBSVLMSXMXLE-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.80
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide

N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide (PubChem CID 108529511) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide
PubChem CID108529511
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide
SMILESCC(C)CN(CC(C)C)C(=O)C(=O)NCCN(C)C
InChIInChI=1S/C14H29N3O2/c1-11(2)9-17(10-12(3)4)14(19)13(18)15-7-8-16(5)6/h11-12H,7-10H2,1-6H3,(H,15,18)
InChIKeyCMJBSVLMSXMXLE-UHFFFAOYSA-N
XLogP0.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108505035
N-(cyanomethyl)-N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)oxamide
CID 55008997
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 21353407
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide
CID 43316288
N,N-bis(2-methylpropyl)-2-oxopropanamide
CID 10910517
N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153198
N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadecanamide
CID 21297929
2-(dimethylamino)ethylurea
CID 16785331
2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
N-[2-(dimethylamino)ethyl]carbamoyl chloride
CID 87387045

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide (CID 108529511) is N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide is CC(C)CN(CC(C)C)C(=O)C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide?
The InChIKey is CMJBSVLMSXMXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(2)9-17(10-12(3)4)14(19)13(18)15-7-8-16(5)6/h11-12H,7-10H2,1-6H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide?
N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide has a molecular weight of 271.40 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide is sourced from PubChem (CID 108529511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).