8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C24H29ClN4O2 — CID 70661815

IUPAC8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCN1CN(c2ccccc2)C2(CCN(C(=O)[C@H](N)Cc3ccc(Cl)cc3)CC2)C1=O
InChIInChI=1S/C24H29ClN4O2/c1-2-27-17-29(20-6-4-3-5-7-20)24(23(27)31)12-14-28(15-13-24)22(30)21(26)16-18-8-10-19(25)11-9-18/h3-11,21H,2,12-17,26H2,1H3/t21-/m1/s1
InChIKeyQHXQRDDVDRDQJK-OAQYLSRUSA-N
MW440.98 g/mol
LogP2.90
Rot. Bonds5

About 8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 70661815) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID70661815
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCN1CN(c2ccccc2)C2(CCN(C(=O)[C@H](N)Cc3ccc(Cl)cc3)CC2)C1=O
InChIInChI=1S/C24H29ClN4O2/c1-2-27-17-29(20-6-4-3-5-7-20)24(23(27)31)12-14-28(15-13-24)22(30)21(26)16-18-8-10-19(25)11-9-18/h3-11,21H,2,12-17,26H2,1H3/t21-/m1/s1
InChIKeyQHXQRDDVDRDQJK-OAQYLSRUSA-N
XLogP2.90
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 70661815) is 8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CCN1CN(c2ccccc2)C2(CCN(C(=O)[C@H](N)Cc3ccc(Cl)cc3)CC2)C1=O.
What is the InChIKey of 8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is QHXQRDDVDRDQJK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-2-27-17-29(20-6-4-3-5-7-20)24(23(27)31)12-14-28(15-13-24)22(30)21(26)16-18-8-10-19(25)11-9-18/h3-11,21H,2,12-17,26H2,1H3/t21-/m1/s1.
What are the key properties of 8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 440.98 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 70661815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).