3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide

C9H18N2O2 — CID 170110889

IUPAC3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide
SMILESCOC1CN(C(=O)NCC(C)C)C1
InChIInChI=1S/C9H18N2O2/c1-7(2)4-10-9(12)11-5-8(6-11)13-3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyYICYCHSESVDSCF-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.68
Rot. Bonds3

About 3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide

3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide (PubChem CID 170110889) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide
PubChem CID170110889
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide
SMILESCOC1CN(C(=O)NCC(C)C)C1
InChIInChI=1S/C9H18N2O2/c1-7(2)4-10-9(12)11-5-8(6-11)13-3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyYICYCHSESVDSCF-UHFFFAOYSA-N
XLogP0.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 103536386
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638463
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 128659331
ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 164556104
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide
CID 23963068
3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide
CID 146082032
N-(2-methoxypropyl)-4-methylpiperidine-1-carboxamide
CID 102697405
1-(2-methoxypropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 102699573
3-[(3-methoxyazetidine-1-carbonyl)amino]-3-(4-propan-2-ylphenyl)propanoic acid
CID 166279129

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide?
The IUPAC name of 3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide (CID 170110889) is 3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide?
The canonical SMILES for 3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide is COC1CN(C(=O)NCC(C)C)C1.
What is the InChIKey of 3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide?
The InChIKey is YICYCHSESVDSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)4-10-9(12)11-5-8(6-11)13-3/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide?
3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide is sourced from PubChem (CID 170110889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).