N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide

C13H28N2O — CID 102905922

IUPACN-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H28N2O/c1-9(2)12(10(3)4)7-15-13(16)8-14-11(5)6/h9-12,14H,7-8H2,1-6H3,(H,15,16)
InChIKeyXFIOCLQVSOCCOO-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.03
Rot. Bonds7

About N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide

N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide (PubChem CID 102905922) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide
PubChem CID102905922
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H28N2O/c1-9(2)12(10(3)4)7-15-13(16)8-14-11(5)6/h9-12,14H,7-8H2,1-6H3,(H,15,16)
InChIKeyXFIOCLQVSOCCOO-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[2-[(3-methyl-2-propan-2-ylbutyl)amino]-2-oxoethyl]propanamide
CID 102914880
3-methyl-4-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 81072242
2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide
CID 174356714
3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905862
N-ethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905286
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]amino]ethyl]-2-(propan-2-ylamino)acetamide
CID 163498678
4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904773
2-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761099
2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide
CID 63226957
N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide
CID 170712620
N-[2-(diethylamino)ethyl]-2-(propan-2-ylamino)acetamide
CID 60843052
2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
CID 43372222

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide (CID 102905922) is N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is XFIOCLQVSOCCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-9(2)12(10(3)4)7-15-13(16)8-14-11(5)6/h9-12,14H,7-8H2,1-6H3,(H,15,16).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide?
N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 228.38 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 102905922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).