N-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide

C17H34N2O2 — CID 164715690

IUPACN-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)N(C)CCCCCOC(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-14(2)11-19-12-16(13-19)17(20)18(5)9-7-6-8-10-21-15(3)4/h14-16H,6-13H2,1-5H3
InChIKeySXCNCWJDUVFLEC-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.63
Rot. Bonds10

About N-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide

N-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide (PubChem CID 164715690) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide
PubChem CID164715690
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)N(C)CCCCCOC(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-14(2)11-19-12-16(13-19)17(20)18(5)9-7-6-8-10-21-15(3)4/h14-16H,6-13H2,1-5H3
InChIKeySXCNCWJDUVFLEC-UHFFFAOYSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidine-3-carboxamide
CID 155034671
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N-methyl-6-propan-2-yloxy-N-(2-propan-2-yloxyethyl)hexanamide
CID 167520219
N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176930608
3-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 81074064
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
N-methyl-N-(2-propan-2-yloxyethyl)piperidine-3-carboxamide
CID 81055489
N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine
CID 155044704
1,6-di(propan-2-yloxy)hexane
CID 10899702
N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide
CID 126996805
N-methyl-N-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxamide
CID 80710136

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide (CID 164715690) is N-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide is CC(C)CN1CC(C(=O)N(C)CCCCCOC(C)C)C1.
What is the InChIKey of N-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide?
The InChIKey is SXCNCWJDUVFLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-14(2)11-19-12-16(13-19)17(20)18(5)9-7-6-8-10-21-15(3)4/h14-16H,6-13H2,1-5H3.
What are the key properties of N-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide?
N-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide has a molecular weight of 298.47 g/mol, XLogP of 2.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropyl)-N-(5-propan-2-yloxypentyl)azetidine-3-carboxamide is sourced from PubChem (CID 164715690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).