N-(3-ethoxypropyl)oxane-4-carboxamide

C11H21NO3 — CID 51073129

IUPACN-(3-ethoxypropyl)oxane-4-carboxamide
SMILESCCOCCCNC(=O)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-2-14-7-3-6-12-11(13)10-4-8-15-9-5-10/h10H,2-9H2,1H3,(H,12,13)
InChIKeyLKFNLTHCSUEKBJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.96
Rot. Bonds6

About N-(3-ethoxypropyl)oxane-4-carboxamide

N-(3-ethoxypropyl)oxane-4-carboxamide (PubChem CID 51073129) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(3-ethoxypropyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)oxane-4-carboxamide
PubChem CID51073129
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(3-ethoxypropyl)oxane-4-carboxamide
SMILESCCOCCCNC(=O)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-2-14-7-3-6-12-11(13)10-4-8-15-9-5-10/h10H,2-9H2,1H3,(H,12,13)
InChIKeyLKFNLTHCSUEKBJ-UHFFFAOYSA-N
XLogP0.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 16770022
N-Cyclohexyltetrahydro-2H-pyran-4-carboxamide
CID 60656377
N-methyl-N-(oxan-4-ylmethyl)butanamide
CID 64592636
N,N-dipropyloxane-4-carboxamide
CID 51073126
N-(cyclopentylmethyl)oxane-4-carboxamide
CID 53512699
2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide
CID 56790354
N-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide
CID 95906083
(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide
CID 99739825
(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 99740333
N-[(4-fluorooxan-4-yl)methyl]acetamide
CID 89959678
ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide
CID 164555847
ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide
CID 164556022

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)oxane-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)oxane-4-carboxamide (CID 51073129) is N-(3-ethoxypropyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)oxane-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)oxane-4-carboxamide is CCOCCCNC(=O)C1CCOCC1.
What is the InChIKey of N-(3-ethoxypropyl)oxane-4-carboxamide?
The InChIKey is LKFNLTHCSUEKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-14-7-3-6-12-11(13)10-4-8-15-9-5-10/h10H,2-9H2,1H3,(H,12,13).
What are the key properties of N-(3-ethoxypropyl)oxane-4-carboxamide?
N-(3-ethoxypropyl)oxane-4-carboxamide has a molecular weight of 215.29 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)oxane-4-carboxamide is sourced from PubChem (CID 51073129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).