N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide

C16H21ClN2O3 — CID 3851823

IUPACN-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCc1ccccc1Cl)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C16H21ClN2O3/c17-14-5-2-1-4-13(14)12-18-15(20)19-8-6-16(7-9-19)21-10-3-11-22-16/h1-2,4-5H,3,6-12H2,(H,18,20)
InChIKeyDBPZYVNFIKAKAE-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.78
Rot. Bonds2

About N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide

N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 3851823) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID3851823
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCc1ccccc1Cl)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C16H21ClN2O3/c17-14-5-2-1-4-13(14)12-18-15(20)19-8-6-16(7-9-19)21-10-3-11-22-16/h1-2,4-5H,3,6-12H2,(H,18,20)
InChIKeyDBPZYVNFIKAKAE-UHFFFAOYSA-N
XLogP2.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 71785150
N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110675417
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
(3S)-N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
CID 92687016
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
[5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109233896
2-(2-chloro-6-fluorophenyl)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 71806942
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105167
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113107783

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 3851823) is N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide is O=C(NCc1ccccc1Cl)N1CCC2(CC1)OCCCO2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is DBPZYVNFIKAKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c17-14-5-2-1-4-13(14)12-18-15(20)19-8-6-16(7-9-19)21-10-3-11-22-16/h1-2,4-5H,3,6-12H2,(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 3851823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).