3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide

C14H20N2O2 — CID 121105872

IUPAC3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CC(CO)C1
InChIInChI=1S/C14H20N2O2/c17-11-13-9-16(10-13)14(18)15-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13,17H,4,7-11H2,(H,15,18)
InChIKeyZMKLNFZYCVTCPI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.25
Rot. Bonds5

About 3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide

3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide (PubChem CID 121105872) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
PubChem CID121105872
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CC(CO)C1
InChIInChI=1S/C14H20N2O2/c17-11-13-9-16(10-13)14(18)15-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13,17H,4,7-11H2,(H,15,18)
InChIKeyZMKLNFZYCVTCPI-UHFFFAOYSA-N
XLogP1.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373
3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid
CID 122018006
3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121190256
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121093224
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 46100871
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide (CID 121105872) is 3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide is O=C(NCCCc1ccccc1)N1CC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide?
The InChIKey is ZMKLNFZYCVTCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-11-13-9-16(10-13)14(18)15-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13,17H,4,7-11H2,(H,15,18).
What are the key properties of 3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide?
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide is sourced from PubChem (CID 121105872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).