N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C15H18ClN3O2 — CID 90795742

IUPACN-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1=CC2(CCNCC2)ON1
InChIInChI=1S/C15H18ClN3O2/c16-12-3-1-11(2-4-12)10-18-14(20)13-9-15(21-19-13)5-7-17-8-6-15/h1-4,9,17,19H,5-8,10H2,(H,18,20)
InChIKeyULCPDLXDJAYOSW-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.50
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 90795742) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID90795742
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1=CC2(CCNCC2)ON1
InChIInChI=1S/C15H18ClN3O2/c16-12-3-1-11(2-4-12)10-18-14(20)13-9-15(21-19-13)5-7-17-8-6-15/h1-4,9,17,19H,5-8,10H2,(H,18,20)
InChIKeyULCPDLXDJAYOSW-UHFFFAOYSA-N
XLogP1.50
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 6513381
2-acetamido-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 76318742
N-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90911012
3-(4-Chlorophenyl)-3-(hydroxyamino)-2-(piperidin-1-yl)acrylamide
CID 132277118
(E)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 2301636
(E)-2,3-diamino-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 68016950
5-Chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one
CID 70127587
5-amino-1-[2-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]ethyl]-6-[(1E)-2-hydroxybuta-1,3-dienyl]pyridin-2-one
CID 89165772
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate
CID 90784345
N-[(4-chlorophenyl)methyl]-8-(2-phenylethylcarbamothioyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90801592
3-(4-Chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 90822069
N-[2-(4-chlorophenyl)ethyl]-8-(dimethylsulfamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90904867

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 90795742) is N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is O=C(NCc1ccc(Cl)cc1)C1=CC2(CCNCC2)ON1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is ULCPDLXDJAYOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-12-3-1-11(2-4-12)10-18-14(20)13-9-15(21-19-13)5-7-17-8-6-15/h1-4,9,17,19H,5-8,10H2,(H,18,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 90795742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).