N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide

C26H27ClN4O2 — CID 46939409

IUPACN-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccc(Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H27ClN4O2/c27-22-7-9-23(10-8-22)31-18-29-25(33)26(31)11-14-30(15-12-26)16-13-28-24(32)21-6-5-19-3-1-2-4-20(19)17-21/h1-10,17H,11-16,18H2,(H,28,32)(H,29,33)
InChIKeyNGQIWQZOPGEKOJ-UHFFFAOYSA-N
MW462.98 g/mol
LogP3.65
Rot. Bonds5

About N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide

N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 46939409) has the molecular formula C26H27ClN4O2 and a molecular weight of 462.98 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide
PubChem CID46939409
Molecular FormulaC26H27ClN4O2
Molecular Weight462.98 g/mol
Exact Mass462.18
IUPAC NameN-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccc(Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H27ClN4O2/c27-22-7-9-23(10-8-22)31-18-29-25(33)26(31)11-14-30(15-12-26)16-13-28-24(32)21-6-5-19-3-1-2-4-20(19)17-21/h1-10,17H,11-16,18H2,(H,28,32)(H,29,33)
InChIKeyNGQIWQZOPGEKOJ-UHFFFAOYSA-N
XLogP3.65
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide (CID 46939409) is N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide is O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccc(Cl)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide?
The InChIKey is NGQIWQZOPGEKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2/c27-22-7-9-23(10-8-22)31-18-29-25(33)26(31)11-14-30(15-12-26)16-13-28-24(32)21-6-5-19-3-1-2-4-20(19)17-21/h1-10,17H,11-16,18H2,(H,28,32)(H,29,33).
What are the key properties of N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide?
N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 462.98 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 46939409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).