N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide

C17H23N3O2 — CID 119604775

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide
SMILESNCC1CCCC1NC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H23N3O2/c18-10-13-2-1-3-15(13)20-17(22)12-6-8-14(9-7-12)19-16(21)11-4-5-11/h6-9,11,13,15H,1-5,10,18H2,(H,19,21)(H,20,22)
InChIKeyJVLUSDKILRDRCC-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.89
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide

N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide (PubChem CID 119604775) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide
PubChem CID119604775
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide
SMILESNCC1CCCC1NC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H23N3O2/c18-10-13-2-1-3-15(13)20-17(22)12-6-8-14(9-7-12)19-16(21)11-4-5-11/h6-9,11,13,15H,1-5,10,18H2,(H,19,21)(H,20,22)
InChIKeyJVLUSDKILRDRCC-UHFFFAOYSA-N
XLogP1.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119612158
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119611483
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
4-(cyclopropanecarbonylamino)-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55534252
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide
CID 50975798
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide
CID 119601299
N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide
CID 119603064
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119601298
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119602335

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide (CID 119604775) is N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide is NCC1CCCC1NC(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide?
The InChIKey is JVLUSDKILRDRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-10-13-2-1-3-15(13)20-17(22)12-6-8-14(9-7-12)19-16(21)11-4-5-11/h6-9,11,13,15H,1-5,10,18H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide?
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide has a molecular weight of 301.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 119604775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).