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

C12H26N2O — CID 60672078

IUPACN-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide
SMILESCCC(CC)NCC(=O)NCCC(C)C
InChIInChI=1S/C12H26N2O/c1-5-11(6-2)14-9-12(15)13-8-7-10(3)4/h10-11,14H,5-9H2,1-4H3,(H,13,15)
InChIKeyHOXWBTJSALJHEV-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.93
Rot. Bonds8

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

N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide (PubChem CID 60672078) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide
PubChem CID60672078
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide
SMILESCCC(CC)NCC(=O)NCCC(C)C
InChIInChI=1S/C12H26N2O/c1-5-11(6-2)14-9-12(15)13-8-7-10(3)4/h10-11,14H,5-9H2,1-4H3,(H,13,15)
InChIKeyHOXWBTJSALJHEV-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 61487192
N-(3-methylbutyl)-2-(pentan-2-ylamino)acetamide
CID 60672196
N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide
CID 60672212
N-ethyl-2-(pentan-3-ylamino)acetamide
CID 28566551
(2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid
CID 83194407
N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
CID 54957153
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
N-butyl-2-(1-hydroxybutan-2-ylamino)acetamide
CID 60671634
2-(hept-6-en-3-ylamino)-N-propylacetamide
CID 115707124
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
(2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836312

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide (CID 60672078) is N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide is CCC(CC)NCC(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide?
The InChIKey is HOXWBTJSALJHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-11(6-2)14-9-12(15)13-8-7-10(3)4/h10-11,14H,5-9H2,1-4H3,(H,13,15).
What are the key properties of N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide?
N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide has a molecular weight of 214.35 g/mol, XLogP of 1.93, 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-(pentan-3-ylamino)acetamide is sourced from PubChem (CID 60672078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).