N-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide

C17H22N2O2 — CID 131926616

IUPACN-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide
SMILESCCCNC(=O)c1ccc(C)c(NC(=O)C2CC23CC3)c1
InChIInChI=1S/C17H22N2O2/c1-3-8-18-15(20)12-5-4-11(2)14(9-12)19-16(21)13-10-17(13)6-7-17/h4-5,9,13H,3,6-8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyCTKRZWNVLVPSKL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.87
Rot. Bonds5

About N-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide

N-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide (PubChem CID 131926616) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide
PubChem CID131926616
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide
SMILESCCCNC(=O)c1ccc(C)c(NC(=O)C2CC23CC3)c1
InChIInChI=1S/C17H22N2O2/c1-3-8-18-15(20)12-5-4-11(2)14(9-12)19-16(21)13-10-17(13)6-7-17/h4-5,9,13H,3,6-8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyCTKRZWNVLVPSKL-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(carbamothioylamino)-4-methyl-N-propylbenzamide
CID 169356590
3-[(2,2-dimethylcyclopropanecarbonyl)amino]-4-methylbenzoic acid
CID 106703341
2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941507
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
4-methyl-3-(2-methylpropanoylcarbamothioylamino)-N-propylbenzamide
CID 163639215
4-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]oxolane-3-carboxamide
CID 66240837
methyl 3-[[(1S)-2,2-dichlorocyclopropanecarbonyl]amino]-4-methylbenzoate
CID 7920453
2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide
CID 131938011
4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide
CID 131943171
3-(2,2-dicyanoethenylamino)-4-methyl-N-propylbenzamide
CID 168541919
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide?
The IUPAC name of N-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide (CID 131926616) is N-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide is CCCNC(=O)c1ccc(C)c(NC(=O)C2CC23CC3)c1.
What is the InChIKey of N-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide?
The InChIKey is CTKRZWNVLVPSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-8-18-15(20)12-5-4-11(2)14(9-12)19-16(21)13-10-17(13)6-7-17/h4-5,9,13H,3,6-8,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide?
N-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 131926616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).