3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide

C12H25N3O2 — CID 106276952

IUPAC3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide
SMILESCCNC(C)CC(=O)NCC(C)(C)C(=O)NC
InChIInChI=1S/C12H25N3O2/c1-6-14-9(2)7-10(16)15-8-12(3,4)11(17)13-5/h9,14H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyMXYDMDJIGFQAQM-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.26
Rot. Bonds7

About 3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide

3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide (PubChem CID 106276952) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide
PubChem CID106276952
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide
SMILESCCNC(C)CC(=O)NCC(C)(C)C(=O)NC
InChIInChI=1S/C12H25N3O2/c1-6-14-9(2)7-10(16)15-8-12(3,4)11(17)13-5/h9,14H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyMXYDMDJIGFQAQM-UHFFFAOYSA-N
XLogP0.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-methylbutanamide
CID 234387
N-[4-(butanoylamino)butyl]butanamide
CID 2166864
N,N'-bis(3-methylbutyl)propanediamide
CID 2396523
3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
N,N'-1,2-propanediylbis(2,2-dimethylpropanamide)
CID 2932311
N-{2-[(3,3-dimethylbutanoyl)amino]-1-methylethyl}-3,3-dimethylbutanamide
CID 4360846
Butanamide, N-(1,1-dimethylpropyl)-4-((1-oxobutyl)amino)-
CID 3067798
Butanamide, N-butyl-4-((2,2-dimethyl-1-oxopropyl)amino)-
CID 3067799
Butanamide, N-butyl-4-((2-methyl-1-oxopropyl)amino)-
CID 3067805
Butanamide, N-(3-(butylamino)-3-oxopropyl)-
CID 3067806
Butanamide, N-(3-(dibutylamino)-3-oxopropyl)-
CID 3067807
Propanamide, N-(3-(dibutylamino)-3-oxopropyl)-2,2-dimethyl-
CID 3067808

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide (CID 106276952) is 3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide is CCNC(C)CC(=O)NCC(C)(C)C(=O)NC.
What is the InChIKey of 3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide?
The InChIKey is MXYDMDJIGFQAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-6-14-9(2)7-10(16)15-8-12(3,4)11(17)13-5/h9,14H,6-8H2,1-5H3,(H,13,17)(H,15,16).
What are the key properties of 3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide?
3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide has a molecular weight of 243.35 g/mol, XLogP of 0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106276952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).