N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide

C21H29N3O2 — CID 131661655

IUPACN-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC2(CCC(=O)N2CC2CC2)CC1
InChIInChI=1S/C21H29N3O2/c25-19-9-11-21(24(19)16-18-7-8-18)10-4-13-23(14-12-21)20(26)22-15-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H,22,26)
InChIKeyDXOHHRJXSJLTGL-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.15
Rot. Bonds4

About N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide

N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide (PubChem CID 131661655) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide
PubChem CID131661655
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC2(CCC(=O)N2CC2CC2)CC1
InChIInChI=1S/C21H29N3O2/c25-19-9-11-21(24(19)16-18-7-8-18)10-4-13-23(14-12-21)20(26)22-15-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H,22,26)
InChIKeyDXOHHRJXSJLTGL-UHFFFAOYSA-N
XLogP3.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
CID 97494267
1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681152
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 134070535
1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134070814
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-benzylazonane-1-carboxamide
CID 130689649
N-cyclopropyl-2-oxo-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 134070992
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
6-(cyclopropylmethyl)-7-oxo-N-(2-phenylethyl)-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146071110

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide?
The IUPAC name of N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide (CID 131661655) is N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide.
What is the SMILES notation for N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide?
The canonical SMILES for N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide is O=C(NCc1ccccc1)N1CCCC2(CCC(=O)N2CC2CC2)CC1.
What is the InChIKey of N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide?
The InChIKey is DXOHHRJXSJLTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-19-9-11-21(24(19)16-18-7-8-18)10-4-13-23(14-12-21)20(26)22-15-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H,22,26).
What are the key properties of N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide?
N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide is sourced from PubChem (CID 131661655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).