N-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide

C26H27N3O2 — CID 11993713

IUPACN-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CC(NC2CCc3ccccc3C2)C1
InChIInChI=1S/C26H27N3O2/c30-26(28-21-12-14-25(15-13-21)31-24-8-2-1-3-9-24)29-17-23(18-29)27-22-11-10-19-6-4-5-7-20(19)16-22/h1-9,12-15,22-23,27H,10-11,16-18H2,(H,28,30)
InChIKeyBHVRBUAAZPGZAW-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.84
Rot. Bonds5

About N-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide

N-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide (PubChem CID 11993713) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide
PubChem CID11993713
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CC(NC2CCc3ccccc3C2)C1
InChIInChI=1S/C26H27N3O2/c30-26(28-21-12-14-25(15-13-21)31-24-8-2-1-3-9-24)29-17-23(18-29)27-22-11-10-19-6-4-5-7-20(19)16-22/h1-9,12-15,22-23,27H,10-11,16-18H2,(H,28,30)
InChIKeyBHVRBUAAZPGZAW-UHFFFAOYSA-N
XLogP4.84
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(4-phenoxyphenyl)azetidine-1-carboxamide
CID 91602321
1-(2,3-dihydro-1H-inden-2-yl)-3-(4-phenoxyphenyl)urea
CID 23734545
3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid
CID 68593361
4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 72841938
4-cyclopentyl-4-hydroxy-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 23071843
[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea
CID 93294306
3-[1-(4-fluorophenyl)ethyl-methylamino]-N-(4-phenoxyphenyl)azetidine-1-carboxamide
CID 91117988
(3aR,6aR)-5-[(4-phenoxyphenyl)carbamoyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133126004
3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 75502896
3-(cyclohexylamino)-N-phenylpiperidine-1-carboxamide
CID 83999198
4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 127145242
(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9074346

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide (CID 11993713) is N-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)N1CC(NC2CCc3ccccc3C2)C1.
What is the InChIKey of N-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide?
The InChIKey is BHVRBUAAZPGZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-26(28-21-12-14-25(15-13-21)31-24-8-2-1-3-9-24)29-17-23(18-29)27-22-11-10-19-6-4-5-7-20(19)16-22/h1-9,12-15,22-23,27H,10-11,16-18H2,(H,28,30).
What are the key properties of N-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide?
N-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)azetidine-1-carboxamide is sourced from PubChem (CID 11993713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).