N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride (PubChem CID 119525936) has the molecular formula C21H31ClN4O3 and a molecular weight of 422.96 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name	N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
PubChem CID	119525936
Molecular Formula	C21H31ClN4O3
Molecular Weight	422.96 g/mol
Exact Mass	422.21
IUPAC Name	N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
SMILES	CC(C)c1ccc(C(N)CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1.Cl
InChI	InChI=1S/C21H30N4O3.ClH/c1-14(2)15-5-7-16(8-6-15)17(22)13-23-18(26)9-12-25-19(27)21(24-20(25)28)10-3-4-11-21;/h5-8,14,17H,3-4,9-13,22H2,1-2H3,(H,23,26)(H,24,28);1H
InChIKey	WZJSLXBHDBIXAE-UHFFFAOYSA-N
XLogP	2.60
TPSA	104.53 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.96
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?

The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride (CID 119525936) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride.

What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?

The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride is CC(C)c1ccc(C(N)CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1.Cl.

What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?

The InChIKey is WZJSLXBHDBIXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3.ClH/c1-14(2)15-5-7-16(8-6-15)17(22)13-23-18(26)9-12-25-19(27)21(24-20(25)28)10-3-4-11-21;/h5-8,14,17H,3-4,9-13,22H2,1-2H3,(H,23,26)(H,24,28);1H.

What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride has a molecular weight of 422.96 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119525936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).