(2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide

C19H22N2O2 — CID 175607279

IUPAC(2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide
SMILESCc1cccc(COc2ccc(CN3CC[C@H]3C(N)=O)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-14-3-2-4-16(11-14)13-23-17-7-5-15(6-8-17)12-21-10-9-18(21)19(20)22/h2-8,11,18H,9-10,12-13H2,1H3,(H2,20,22)/t18-/m0/s1
InChIKeyUEGFQFKKGRPWIS-SFHVURJKSA-N
MW310.40 g/mol
LogP2.63
Rot. Bonds6

About (2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide

(2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide (PubChem CID 175607279) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide
PubChem CID175607279
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide
SMILESCc1cccc(COc2ccc(CN3CC[C@H]3C(N)=O)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-14-3-2-4-16(11-14)13-23-17-7-5-15(6-8-17)12-21-10-9-18(21)19(20)22/h2-8,11,18H,9-10,12-13H2,1H3,(H2,20,22)/t18-/m0/s1
InChIKeyUEGFQFKKGRPWIS-SFHVURJKSA-N
XLogP2.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 143494865
(2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 166630369
(2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 11234325
1-[(4-bromophenyl)methyl]azetidine-2-carboxamide
CID 74961282
1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984992
(2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide
CID 163564541
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252
2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one
CID 82051803
1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 39308220
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide?
The IUPAC name of (2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide (CID 175607279) is (2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide is Cc1cccc(COc2ccc(CN3CC[C@H]3C(N)=O)cc2)c1.
What is the InChIKey of (2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide?
The InChIKey is UEGFQFKKGRPWIS-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-3-2-4-16(11-14)13-23-17-7-5-15(6-8-17)12-21-10-9-18(21)19(20)22/h2-8,11,18H,9-10,12-13H2,1H3,(H2,20,22)/t18-/m0/s1.
What are the key properties of (2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide?
(2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide is sourced from PubChem (CID 175607279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).