N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride

C20H32ClN3O2 — CID 119655210

IUPACN-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-20(2,13-21)14-23(3)19(25)17-10-8-15(9-11-17)12-22-18(24)16-6-4-5-7-16;/h8-11,16H,4-7,12-14,21H2,1-3H3,(H,22,24);1H
InChIKeyNNTHMXPMACFKTE-UHFFFAOYSA-N
MW381.95 g/mol
LogP2.97
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride (PubChem CID 119655210) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride
PubChem CID119655210
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-20(2,13-21)14-23(3)19(25)17-10-8-15(9-11-17)12-22-18(24)16-6-4-5-7-16;/h8-11,16H,4-7,12-14,21H2,1-3H3,(H,22,24);1H
InChIKeyNNTHMXPMACFKTE-UHFFFAOYSA-N
XLogP2.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119574500
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119384153
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
4-[(cyclopentanecarbonylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552829
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119652729
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid
CID 119205884
4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672448
N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119497751
N-(3-amino-2,2-dimethylpropyl)cyclohexanecarboxamide
CID 115365726
N-benzylcyclopentanecarboxamide
CID 835634

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride (CID 119655210) is N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride is CN(CC(C)(C)CN)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride?
The InChIKey is NNTHMXPMACFKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-20(2,13-21)14-23(3)19(25)17-10-8-15(9-11-17)12-22-18(24)16-6-4-5-7-16;/h8-11,16H,4-7,12-14,21H2,1-3H3,(H,22,24);1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119655210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).