N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide

C12H24N2O2 — CID 115896542

IUPACN-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide
SMILESCCC(NC(C)CC(=O)NC)C1CCCO1
InChIInChI=1S/C12H24N2O2/c1-4-10(11-6-5-7-16-11)14-9(2)8-12(15)13-3/h9-11,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyMGMNFAKNEOFLLK-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds6

About N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide

N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide (PubChem CID 115896542) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide.

Molecular Properties

Compound NameN-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide
PubChem CID115896542
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide
SMILESCCC(NC(C)CC(=O)NC)C1CCCO1
InChIInChI=1S/C12H24N2O2/c1-4-10(11-6-5-7-16-11)14-9(2)8-12(15)13-3/h9-11,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyMGMNFAKNEOFLLK-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine
CID 115896543
N-[1-(oxolan-2-yl)propyl]acetamide
CID 130615261
tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate
CID 90885725
3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide
CID 115724442
4,4-dimethyl-2-(methylamino)-N-[1-(oxolan-2-yl)propyl]pentanamide
CID 167850623
1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine
CID 115896555
N-[4-[[(1R)-1-[(2R)-oxolan-2-yl]propyl]amino]cyclohexyl]acetamide
CID 99634980
2-(ethylamino)-2-(oxolan-2-yl)ethanol
CID 82838374
2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120696096
N-methyl-3-(oxan-3-ylamino)butanamide
CID 115717949
N-[3-[1-[1-(oxolan-2-yl)propylamino]ethyl]phenyl]acetamide
CID 75483028
N-[1-(oxolan-2-yl)propyl]cycloheptanamine
CID 115896557

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide?
The IUPAC name of N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide (CID 115896542) is N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide.
What is the SMILES notation for N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide?
The canonical SMILES for N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide is CCC(NC(C)CC(=O)NC)C1CCCO1.
What is the InChIKey of N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide?
The InChIKey is MGMNFAKNEOFLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-10(11-6-5-7-16-11)14-9(2)8-12(15)13-3/h9-11,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide?
N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide is sourced from PubChem (CID 115896542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).