N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide

About N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide

N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide (PubChem CID 59827734) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name	N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide
PubChem CID	59827734
Molecular Formula	C24H34N4O3
Molecular Weight	426.56 g/mol
Exact Mass	426.26
IUPAC Name	N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide
SMILES	CC(=O)N[C@@H](CCN1C2CCC1CC1(C2)C(=O)N(C)C(=O)N1C(C)C)c1ccccc1
InChI	InChI=1S/C24H34N4O3/c1-16(2)28-23(31)26(4)22(30)24(28)14-19-10-11-20(15-24)27(19)13-12-21(25-17(3)29)18-8-6-5-7-9-18/h5-9,16,19-21H,10-15H2,1-4H3,(H,25,29)/t19?,20?,21-,24?/m0/s1
InChIKey	SSGAIAQYSCQWLT-ATCWGPEFSA-N
XLogP	2.92
TPSA	72.96 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.56
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
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-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide?

The IUPAC name of N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide (CID 59827734) is N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide.

What is the SMILES notation for N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide?

The canonical SMILES for N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide is CC(=O)N[C@@H](CCN1C2CCC1CC1(C2)C(=O)N(C)C(=O)N1C(C)C)c1ccccc1.

What is the InChIKey of N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide?

The InChIKey is SSGAIAQYSCQWLT-ATCWGPEFSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-16(2)28-23(31)26(4)22(30)24(28)14-19-10-11-20(15-24)27(19)13-12-21(25-17(3)29)18-8-6-5-7-9-18/h5-9,16,19-21H,10-15H2,1-4H3,(H,25,29)/t19?,20?,21-,24?/m0/s1.

What are the key properties of N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide?

N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide has a molecular weight of 426.56 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide is sourced from PubChem (CID 59827734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).