N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide

C13H26N2O2 — CID 82726185

IUPACN-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide
SMILESCC(C)CCNC(=O)C(C)NC1CCOC1C
InChIInChI=1S/C13H26N2O2/c1-9(2)5-7-14-13(16)10(3)15-12-6-8-17-11(12)4/h9-12,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyDUGWHKXKJWRNDL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.30
Rot. Bonds6

About N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide

N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide (PubChem CID 82726185) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide
PubChem CID82726185
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide
SMILESCC(C)CCNC(=O)C(C)NC1CCOC1C
InChIInChI=1S/C13H26N2O2/c1-9(2)5-7-14-13(16)10(3)15-12-6-8-17-11(12)4/h9-12,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyDUGWHKXKJWRNDL-UHFFFAOYSA-N
XLogP1.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337032
2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide
CID 63995484
N,N-diethyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337064
2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid
CID 82728122
(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide
CID 98847905
N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide
CID 43373502
2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid
CID 82725687
N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide
CID 103062851
N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide
CID 113411967
4-[(2-methyloxolan-3-yl)amino]butan-2-ol
CID 75525204
N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033634
(2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol
CID 97358229

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide?
The IUPAC name of N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide (CID 82726185) is N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide is CC(C)CCNC(=O)C(C)NC1CCOC1C.
What is the InChIKey of N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide?
The InChIKey is DUGWHKXKJWRNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)5-7-14-13(16)10(3)15-12-6-8-17-11(12)4/h9-12,15H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide?
N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.30, 6 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-methyloxolan-3-yl)amino]propanamide is sourced from PubChem (CID 82726185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).