1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea

C21H29N3O2 — CID 97494267

IUPAC1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
SMILESO=C(NCc1ccccc1)NC1CCC2(CCC(=O)N2CC2CC2)CC1
InChIInChI=1S/C21H29N3O2/c25-19-10-13-21(24(19)15-17-6-7-17)11-8-18(9-12-21)23-20(26)22-14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H2,22,23,26)
InChIKeyNRVPGDSBQBWMDX-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.20
Rot. Bonds5

About 1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea

1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea (PubChem CID 97494267) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
PubChem CID97494267
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
SMILESO=C(NCc1ccccc1)NC1CCC2(CCC(=O)N2CC2CC2)CC1
InChIInChI=1S/C21H29N3O2/c25-19-10-13-21(24(19)15-17-6-7-17)11-8-18(9-12-21)23-20(26)22-14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H2,22,23,26)
InChIKeyNRVPGDSBQBWMDX-UHFFFAOYSA-N
XLogP3.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
CID 97494227
N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 131661655
N-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)acetamide
CID 97397454
N-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]thiophene-3-carboxamide
CID 97494257
1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97397449
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one
CID 155876706
N-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 97397451
1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one
CID 155875735
N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide
CID 131691194
1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904
1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24664741

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea?
The IUPAC name of 1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea (CID 97494267) is 1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea.
What is the SMILES notation for 1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea?
The canonical SMILES for 1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea is O=C(NCc1ccccc1)NC1CCC2(CCC(=O)N2CC2CC2)CC1.
What is the InChIKey of 1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea?
The InChIKey is NRVPGDSBQBWMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-19-10-13-21(24(19)15-17-6-7-17)11-8-18(9-12-21)23-20(26)22-14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H2,22,23,26).
What are the key properties of 1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea?
1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea has a molecular weight of 355.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea is sourced from PubChem (CID 97494267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).