N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide

C13H26N2O2 — CID 54874267

IUPACN-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide
SMILESCCN(CC1CCOC1)C(=O)CCNC(C)C
InChIInChI=1S/C13H26N2O2/c1-4-15(9-12-6-8-17-10-12)13(16)5-7-14-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyZTUIPOSODCUBBH-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds7

About N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide

N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide (PubChem CID 54874267) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide
PubChem CID54874267
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide
SMILESCCN(CC1CCOC1)C(=O)CCNC(C)C
InChIInChI=1S/C13H26N2O2/c1-4-15(9-12-6-8-17-10-12)13(16)5-7-14-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyZTUIPOSODCUBBH-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964406
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide
CID 55744687
3-amino-N-ethyl-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 62668913
2-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569649
1-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclobutane-1-carboxamide
CID 81172156
N,N-diethyl-2-(oxolan-3-ylmethylamino)propanamide
CID 43433587
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-3-ylmethyl)propanamide
CID 62845627
N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 94823366
N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 94820192

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide (CID 54874267) is N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide is CCN(CC1CCOC1)C(=O)CCNC(C)C.
What is the InChIKey of N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is ZTUIPOSODCUBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-15(9-12-6-8-17-10-12)13(16)5-7-14-11(2)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide?
N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 54874267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).