N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide

C18H23NO — CID 167890511

IUPACN-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide
SMILESO=C(NC(c1ccccc1)C1CCCC1)C1CC12CC2
InChIInChI=1S/C18H23NO/c20-17(15-12-18(15)10-11-18)19-16(14-8-4-5-9-14)13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2,(H,19,20)
InChIKeyQROSJKLZXPZOHI-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.83
Rot. Bonds4

About N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide

N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide (PubChem CID 167890511) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide
PubChem CID167890511
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide
SMILESO=C(NC(c1ccccc1)C1CCCC1)C1CC12CC2
InChIInChI=1S/C18H23NO/c20-17(15-12-18(15)10-11-18)19-16(14-8-4-5-9-14)13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2,(H,19,20)
InChIKeyQROSJKLZXPZOHI-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid
CID 122111245
4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672939
2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
CID 119197362
(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide
CID 899685
2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid
CID 122107603
4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid
CID 122107417
(4R)-N-[(R)-cyclopentyl(phenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 97081118
N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide
CID 43709653
(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
CID 7447883
1-[(S)-cyclohexyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 95572794
N-[cyclobutyl(phenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538084

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide?
The IUPAC name of N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide (CID 167890511) is N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide.
What is the SMILES notation for N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide?
The canonical SMILES for N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide is O=C(NC(c1ccccc1)C1CCCC1)C1CC12CC2.
What is the InChIKey of N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide?
The InChIKey is QROSJKLZXPZOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-17(15-12-18(15)10-11-18)19-16(14-8-4-5-9-14)13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2,(H,19,20).
What are the key properties of N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide?
N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 167890511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).