N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide

C14H28N2O2 — CID 113411967

IUPACN-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide
SMILESCC(C)CCNC(=O)C(C)NCCC1CCOC1
InChIInChI=1S/C14H28N2O2/c1-11(2)4-7-16-14(17)12(3)15-8-5-13-6-9-18-10-13/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyDSMASZLECLYCHX-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.55
Rot. Bonds8

About N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide

N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide (PubChem CID 113411967) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide
PubChem CID113411967
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide
SMILESCC(C)CCNC(=O)C(C)NCCC1CCOC1
InChIInChI=1S/C14H28N2O2/c1-11(2)4-7-16-14(17)12(3)15-8-5-13-6-9-18-10-13/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyDSMASZLECLYCHX-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine
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2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
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2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
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2-(2-cyclopentyloxyethylamino)-N-(3-methylbutyl)propanamide
CID 63828200
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
N-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 62351557
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide
CID 60854910
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
5-methyl-1-(oxolan-3-yl)hexan-2-one
CID 103986168
N-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54906033
3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide
CID 102671535

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide?
The IUPAC name of N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide (CID 113411967) is N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide is CC(C)CCNC(=O)C(C)NCCC1CCOC1.
What is the InChIKey of N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide?
The InChIKey is DSMASZLECLYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)4-7-16-14(17)12(3)15-8-5-13-6-9-18-10-13/h11-13,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide?
N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide is sourced from PubChem (CID 113411967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).