N-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide

C19H29ClN4O — CID 121497624

IUPACN-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide
SMILESCC(NC(=O)N1CCCN(C)C2(CCNCC2)C1)c1ccccc1Cl
InChIInChI=1S/C19H29ClN4O/c1-15(16-6-3-4-7-17(16)20)22-18(25)24-13-5-12-23(2)19(14-24)8-10-21-11-9-19/h3-4,6-7,15,21H,5,8-14H2,1-2H3,(H,22,25)
InChIKeyDOGWLSIFIMRJCF-UHFFFAOYSA-N
MW364.92 g/mol
LogP2.87
Rot. Bonds2

About N-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide

N-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide (PubChem CID 121497624) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide
PubChem CID121497624
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide
SMILESCC(NC(=O)N1CCCN(C)C2(CCNCC2)C1)c1ccccc1Cl
InChIInChI=1S/C19H29ClN4O/c1-15(16-6-3-4-7-17(16)20)22-18(25)24-13-5-12-23(2)19(14-24)8-10-21-11-9-19/h3-4,6-7,15,21H,5,8-14H2,1-2H3,(H,22,25)
InChIKeyDOGWLSIFIMRJCF-UHFFFAOYSA-N
XLogP2.87
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide (CID 121497624) is N-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide is CC(NC(=O)N1CCCN(C)C2(CCNCC2)C1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide?
The InChIKey is DOGWLSIFIMRJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O/c1-15(16-6-3-4-7-17(16)20)22-18(25)24-13-5-12-23(2)19(14-24)8-10-21-11-9-19/h3-4,6-7,15,21H,5,8-14H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide has a molecular weight of 364.92 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecane-11-carboxamide is sourced from PubChem (CID 121497624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).