N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

C19H27N3O2 — CID 119611483

IUPACN-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)NC2CCCCC2CN)cc1
InChIInChI=1S/C19H27N3O2/c1-12-10-16(12)19(24)21-15-8-6-13(7-9-15)18(23)22-17-5-3-2-4-14(17)11-20/h6-9,12,14,16-17H,2-5,10-11,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyLTKSEQLBHKPXDH-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.53
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 119611483) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID119611483
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)NC2CCCCC2CN)cc1
InChIInChI=1S/C19H27N3O2/c1-12-10-16(12)19(24)21-15-8-6-13(7-9-15)18(23)22-17-5-3-2-4-14(17)11-20/h6-9,12,14,16-17H,2-5,10-11,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyLTKSEQLBHKPXDH-UHFFFAOYSA-N
XLogP2.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.53
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-(cyclopropanecarbonylamino)benzamide
CID 119604775
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
cis-(1S,3R)-3-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675005
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]benzamide
CID 124887231
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide
CID 119611041
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
CID 119612061
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide
CID 119601299

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 119611483) is N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC1CC1C(=O)Nc1ccc(C(=O)NC2CCCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is LTKSEQLBHKPXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12-10-16(12)19(24)21-15-8-6-13(7-9-15)18(23)22-17-5-3-2-4-14(17)11-20/h6-9,12,14,16-17H,2-5,10-11,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 329.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 119611483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).