N-butyl-N-methyl-3-(oxolan-2-yl)propanamide

C12H23NO2 — CID 86929613

IUPACN-butyl-N-methyl-3-(oxolan-2-yl)propanamide
SMILESCCCCN(C)C(=O)CCC1CCCO1
InChIInChI=1S/C12H23NO2/c1-3-4-9-13(2)12(14)8-7-11-6-5-10-15-11/h11H,3-10H2,1-2H3
InChIKeyTVSDAZAMEFVUOP-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds6

About N-butyl-N-methyl-3-(oxolan-2-yl)propanamide

N-butyl-N-methyl-3-(oxolan-2-yl)propanamide (PubChem CID 86929613) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(oxolan-2-yl)propanamide
PubChem CID86929613
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-butyl-N-methyl-3-(oxolan-2-yl)propanamide
SMILESCCCCN(C)C(=O)CCC1CCCO1
InChIInChI=1S/C12H23NO2/c1-3-4-9-13(2)12(14)8-7-11-6-5-10-15-11/h11H,3-10H2,1-2H3
InChIKeyTVSDAZAMEFVUOP-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
CID 54979906
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
N-(3-aminopropyl)-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylpropanamide
CID 61433794
tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate
CID 100668130
1-butyl-1,2-dimethyl-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 111160040
N-(azetidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 66187540
2-tetradecyloxolane
CID 10683364
4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
CID 135108533
1-(oxolan-2-yl)undecan-4-one
CID 114976697
N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide
CID 65159288

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-butyl-N-methyl-3-(oxolan-2-yl)propanamide (CID 86929613) is N-butyl-N-methyl-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-butyl-N-methyl-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-butyl-N-methyl-3-(oxolan-2-yl)propanamide is CCCCN(C)C(=O)CCC1CCCO1.
What is the InChIKey of N-butyl-N-methyl-3-(oxolan-2-yl)propanamide?
The InChIKey is TVSDAZAMEFVUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-9-13(2)12(14)8-7-11-6-5-10-15-11/h11H,3-10H2,1-2H3.
What are the key properties of N-butyl-N-methyl-3-(oxolan-2-yl)propanamide?
N-butyl-N-methyl-3-(oxolan-2-yl)propanamide has a molecular weight of 213.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 86929613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).