3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide

C13H27NO — CID 18736157

IUPAC3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide
SMILESCCCN(CC(C)C)C(=O)CC(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-8-14(10-11(2)3)12(15)9-13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyMKOVSCYSTYEETA-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.32
Rot. Bonds5

About 3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide

3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide (PubChem CID 18736157) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide
PubChem CID18736157
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide
SMILESCCCN(CC(C)C)C(=O)CC(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-8-14(10-11(2)3)12(15)9-13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyMKOVSCYSTYEETA-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide
CID 43136576
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 107483272
N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190598
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 83280256
N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
CID 62335118
N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
CID 58848995
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid
CID 43437635
ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine
CID 177155599
2-[2-hydroxypropyl(methyl)amino]-N,N-dipropylacetamide
CID 62334661

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide?
The IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide (CID 18736157) is 3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide is CCCN(CC(C)C)C(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide?
The InChIKey is MKOVSCYSTYEETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-8-14(10-11(2)3)12(15)9-13(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide?
3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide has a molecular weight of 213.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide is sourced from PubChem (CID 18736157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).