N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide

C13H25NO5 — CID 170420294

IUPACN-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide
SMILESCC1CC(OCCOCCC(=O)NC(CO)CO)C1
InChIInChI=1S/C13H25NO5/c1-10-6-12(7-10)19-5-4-18-3-2-13(17)14-11(8-15)9-16/h10-12,15-16H,2-9H2,1H3,(H,14,17)
InChIKeyGMSFODQJAKGERN-UHFFFAOYSA-N
MW275.34 g/mol
LogP-0.32
Rot. Bonds10

About N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide

N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide (PubChem CID 170420294) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide
PubChem CID170420294
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide
SMILESCC1CC(OCCOCCC(=O)NC(CO)CO)C1
InChIInChI=1S/C13H25NO5/c1-10-6-12(7-10)19-5-4-18-3-2-13(17)14-11(8-15)9-16/h10-12,15-16H,2-9H2,1H3,(H,14,17)
InChIKeyGMSFODQJAKGERN-UHFFFAOYSA-N
XLogP-0.32
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(3-methylcyclobutyl)oxypropanoate
CID 170036663
N-[(2R)-1-hydroxybutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103919727
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930
N-[(2R)-1-hydroxybutan-2-yl]-3-methoxypropanamide
CID 103920011
4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide
CID 112728067
2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide
CID 64729428
18-[[1-hydroxy-5-oxo-5-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethylamino]pentan-2-yl]amino]-18-oxooctadecanoic acid
CID 123229463
3-ethoxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861315
9-(3-ethoxypropanoylamino)-16-hydroxyhexadecanoic acid
CID 71415512
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen
CID 168986443
5-(3-methylcyclobutyl)oxypentan-1-ol
CID 134489229

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide (CID 170420294) is N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide is CC1CC(OCCOCCC(=O)NC(CO)CO)C1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide?
The InChIKey is GMSFODQJAKGERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-10-6-12(7-10)19-5-4-18-3-2-13(17)14-11(8-15)9-16/h10-12,15-16H,2-9H2,1H3,(H,14,17).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide?
N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide has a molecular weight of 275.34 g/mol, XLogP of -0.32, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide is sourced from PubChem (CID 170420294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).