1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide

C19H22N2O2 — CID 22506711

IUPAC1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide
SMILESCON(C)C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c1-20(23-2)19(22)17-13-21(14-17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKeySPJRAPIZGNKNHH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.73
Rot. Bonds5

About 1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide

1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide (PubChem CID 22506711) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide
PubChem CID22506711
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide
SMILESCON(C)C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c1-20(23-2)19(22)17-13-21(14-17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKeySPJRAPIZGNKNHH-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide
CID 102402921
ethyl 1-benzhydrylazetidine-3-carboxylate
CID 3300764
carbamoyl 1-benzhydrylazetidine-3-carboxylate
CID 91408573
(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
CID 131875139
1-benzhydryl-N'-hydroxyazetidine-3-carboximidamide
CID 21305029
tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride
CID 170994169
(1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid
CID 69107586
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
1-benzhydrylazetidine-3-carboximidamide
CID 142148150
ethyl 1-(1-benzhydrylazetidine-3-carbonyl)piperidine-4-carboxylate
CID 29133609
tert-butyl 3-[(4-aminopyrazol-1-yl)-phenylmethyl]azetidine-1-carboxylate;tert-butyl 3-[methoxy(methyl)carbamoyl]azetidine-1-carboxylate
CID 158714521
tert-butyl N-[(1S)-1-[4-(1-benzhydrylazetidine-3-carbonyl)phenyl]ethyl]carbamate
CID 131729015

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide (CID 22506711) is 1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide is CON(C)C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide?
The InChIKey is SPJRAPIZGNKNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-20(23-2)19(22)17-13-21(14-17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3.
What are the key properties of 1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide?
1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 22506711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).