N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride

About N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride

N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride (PubChem CID 69208800) has the molecular formula C26H33ClN4O4 and a molecular weight of 501.03 g/mol. Its IUPAC name is N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride.

Molecular Properties

Compound Name	N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride
PubChem CID	69208800
Molecular Formula	C26H33ClN4O4
Molecular Weight	501.03 g/mol
Exact Mass	500.22
IUPAC Name	N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride
SMILES	COc1ccc(CN2C(=O)NC3(CCN(CC[C@H](NC(C)=O)c4ccccc4)CC3)C2=O)cc1.Cl
InChI	InChI=1S/C26H32N4O4.ClH/c1-19(31)27-23(21-6-4-3-5-7-21)12-15-29-16-13-26(14-17-29)24(32)30(25(33)28-26)18-20-8-10-22(34-2)11-9-20;/h3-11,23H,12-18H2,1-2H3,(H,27,31)(H,28,33);1H/t23-;/m0./s1
InChIKey	VGBQHXOEDQLKQU-BQAIUKQQSA-N
XLogP	3.27
TPSA	90.98 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.03
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride?

The IUPAC name of N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride (CID 69208800) is N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride.

What is the SMILES notation for N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride?

The canonical SMILES for N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride is COc1ccc(CN2C(=O)NC3(CCN(CC[C@H](NC(C)=O)c4ccccc4)CC3)C2=O)cc1.Cl.

What is the InChIKey of N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride?

The InChIKey is VGBQHXOEDQLKQU-BQAIUKQQSA-N. The full InChI is InChI=1S/C26H32N4O4.ClH/c1-19(31)27-23(21-6-4-3-5-7-21)12-15-29-16-13-26(14-17-29)24(32)30(25(33)28-26)18-20-8-10-22(34-2)11-9-20;/h3-11,23H,12-18H2,1-2H3,(H,27,31)(H,28,33);1H/t23-;/m0./s1.

What are the key properties of N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride?

N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride has a molecular weight of 501.03 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride is sourced from PubChem (CID 69208800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).