2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide

C13H28N2O — CID 115627530

IUPAC2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNC(C)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-7-11(8-2)15-12(16)9-14-10(3)13(4,5)6/h10-11,14H,7-9H2,1-6H3,(H,15,16)
InChIKeyWAXKHEUPNITFDQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.32
Rot. Bonds6

About 2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide

2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide (PubChem CID 115627530) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide
PubChem CID115627530
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNC(C)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-7-11(8-2)15-12(16)9-14-10(3)13(4,5)6/h10-11,14H,7-9H2,1-6H3,(H,15,16)
InChIKeyWAXKHEUPNITFDQ-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 65313831
N-tert-butyl-2-(3,3-dimethylbutan-2-ylamino)acetamide
CID 115627468
methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate
CID 60690899
2-(3,3-dimethylbutan-2-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115627480
2-(1-methoxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 60672224
2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide
CID 65111812
2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide
CID 115626999
N-[(2R)-butan-2-yl]-3-[[(2R)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230749
N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230748
3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid
CID 62966244
2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide
CID 62645665
N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide
CID 71986887

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide (CID 115627530) is 2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNC(C)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide?
The InChIKey is WAXKHEUPNITFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-11(8-2)15-12(16)9-14-10(3)13(4,5)6/h10-11,14H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide?
2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide has a molecular weight of 228.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide is sourced from PubChem (CID 115627530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).