N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide

C13H28N2O — CID 61487192

IUPACN-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide
SMILESCCC(NCC(=O)NCCC(C)C)C(C)C
InChIInChI=1S/C13H28N2O/c1-6-12(11(4)5)15-9-13(16)14-8-7-10(2)3/h10-12,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyUPQJQGWHNNDFLZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.17
Rot. Bonds8

About N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide

N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide (PubChem CID 61487192) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide
PubChem CID61487192
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide
SMILESCCC(NCC(=O)NCCC(C)C)C(C)C
InChIInChI=1S/C13H28N2O/c1-6-12(11(4)5)15-9-13(16)14-8-7-10(2)3/h10-12,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyUPQJQGWHNNDFLZ-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide
CID 60672078
N-(3-methylbutyl)-2-(pentan-2-ylamino)acetamide
CID 60672196
N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide
CID 60672212
(2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid
CID 83194407
2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide
CID 115923473
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
CID 79250505
N-(cyclopropylmethyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 61469190
N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
CID 54957153
2-(2,2-dimethylpropylamino)-N-(3-methylbutyl)acetamide
CID 61486851
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 104696201

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide (CID 61487192) is N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide is CCC(NCC(=O)NCCC(C)C)C(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide?
The InChIKey is UPQJQGWHNNDFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-12(11(4)5)15-9-13(16)14-8-7-10(2)3/h10-12,15H,6-9H2,1-5H3,(H,14,16).
What are the key properties of N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide?
N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide has a molecular weight of 228.38 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide is sourced from PubChem (CID 61487192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).