N-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride

C10H21ClN2O2 — CID 142434763

IUPACN-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride
SMILESCCOCC(CC)NC(=O)C1CNC1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-3-9(7-14-4-2)12-10(13)8-5-11-6-8;/h8-9,11H,3-7H2,1-2H3,(H,12,13);1H
InChIKeyODIQMAGRIBERKD-UHFFFAOYSA-N
MW236.74 g/mol
LogP0.56
Rot. Bonds6

About N-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride

N-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride (PubChem CID 142434763) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is N-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride
PubChem CID142434763
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC NameN-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride
SMILESCCOCC(CC)NC(=O)C1CNC1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-3-9(7-14-4-2)12-10(13)8-5-11-6-8;/h8-9,11H,3-7H2,1-2H3,(H,12,13);1H
InChIKeyODIQMAGRIBERKD-UHFFFAOYSA-N
XLogP0.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyethyl)azetidine-3-carboxamide;hydrochloride
CID 142434678
(3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide
CID 114113782
3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550803
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]azetidine-3-carboxamide
CID 103109047
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-(1-ethoxy-3-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 103274805
N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide
CID 103811158
4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide
CID 115977036
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
(3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide
CID 106230318
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271
(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-[4-(3-methoxypropoxy)-5-propan-2-yl-2-pyridinyl]piperidine-3,5-dicarboxamide;hydrochloride
CID 118709240

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride (CID 142434763) is N-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride is CCOCC(CC)NC(=O)C1CNC1.Cl.
What is the InChIKey of N-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride?
The InChIKey is ODIQMAGRIBERKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-3-9(7-14-4-2)12-10(13)8-5-11-6-8;/h8-9,11H,3-7H2,1-2H3,(H,12,13);1H.
What are the key properties of N-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride?
N-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 142434763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).