(1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid

C20H22N2O2 — CID 69107586

IUPAC(1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid
SMILESO=C(O)N(C1CC1)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H22N2O2/c23-20(24)22(17-11-12-17)18-13-21(14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H,23,24)
InChIKeyNTLQCCKTXGNKHZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.60
Rot. Bonds5

About (1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid

(1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid (PubChem CID 69107586) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid.

Molecular Properties

Compound Name(1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid
PubChem CID69107586
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid
SMILESO=C(O)N(C1CC1)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H22N2O2/c23-20(24)22(17-11-12-17)18-13-21(14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H,23,24)
InChIKeyNTLQCCKTXGNKHZ-UHFFFAOYSA-N
XLogP3.60
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide
CID 21183789
1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide
CID 22506711
(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
CID 131875139
carbamoyl 1-benzhydrylazetidine-3-carboxylate
CID 91408573
N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide
CID 4170750
2-benzhydryl-2-azaspiro[3.3]heptane-7-carboxylic acid
CID 123168994
N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide
CID 69057549
1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid
CID 129052797
ethyl 1-benzhydrylazetidine-3-carboxylate
CID 3300764
2-(4-benzhydrylpiperazin-1-yl)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30633733
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141

Frequently Asked Questions

What is the IUPAC name of (1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid?
The IUPAC name of (1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid (CID 69107586) is (1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid.
What is the SMILES notation for (1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid?
The canonical SMILES for (1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid is O=C(O)N(C1CC1)C1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid?
The InChIKey is NTLQCCKTXGNKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(24)22(17-11-12-17)18-13-21(14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H,23,24).
What are the key properties of (1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid?
(1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid has a molecular weight of 322.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid is sourced from PubChem (CID 69107586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).