(1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid

C19H22N2O2 — CID 66953063

IUPAC(1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid
SMILESCC1(CNC(=O)O)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c1-19(12-20-18(22)23)13-21(14-19)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,20H,12-14H2,1H3,(H,22,23)
InChIKeyNTYYCYVNPLFCFS-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.37
Rot. Bonds5

About (1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid

(1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid (PubChem CID 66953063) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid.

Molecular Properties

Compound Name(1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid
PubChem CID66953063
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid
SMILESCC1(CNC(=O)O)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c1-19(12-20-18(22)23)13-21(14-19)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,20H,12-14H2,1H3,(H,22,23)
InChIKeyNTYYCYVNPLFCFS-UHFFFAOYSA-N
XLogP3.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
3-(anilinomethyl)-1-benzhydrylazetidin-3-ol
CID 68555934
1-benzhydryl-3,3-dimethylazetidine;1-benzhydryl-3-methylazetidin-3-ol;3-methylazetidin-3-ol
CID 158144824
1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine
CID 142975175
N-[(1-benzhydryl-3-hydroxyazetidin-3-yl)methyl]-methylboronamidic acid
CID 20668520
tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate
CID 138987642
2-(1-benzhydryl-3-hydroxyazetidin-3-yl)-3,3-dimethylbutanoic acid
CID 67051529
1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol
CID 89059165
(1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 6355846
4-[(1-benzhydryl-3-methylazetidin-3-yl)methoxy]-5-cyclopropyl-2-fluorobenzamide;ethane
CID 144850073
[1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine
CID 143050381
4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265

Frequently Asked Questions

What is the IUPAC name of (1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid?
The IUPAC name of (1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid (CID 66953063) is (1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid.
What is the SMILES notation for (1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid?
The canonical SMILES for (1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid is CC1(CNC(=O)O)CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid?
The InChIKey is NTYYCYVNPLFCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(12-20-18(22)23)13-21(14-19)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,20H,12-14H2,1H3,(H,22,23).
What are the key properties of (1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid?
(1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid has a molecular weight of 310.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid is sourced from PubChem (CID 66953063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).