N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride

C19H29ClN4O3 — CID 120604302

IUPACN-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)CNC(=O)CC1CCCCC1
InChIInChI=1S/C19H28N4O3.ClH/c20-10-11-21-19(26)15-8-4-5-9-16(15)23-18(25)13-22-17(24)12-14-6-2-1-3-7-14;/h4-5,8-9,14H,1-3,6-7,10-13,20H2,(H,21,26)(H,22,24)(H,23,25);1H
InChIKeyZDCNPHDQOPAZLL-UHFFFAOYSA-N
MW396.92 g/mol
LogP1.82
Rot. Bonds8

About N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride

N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride (PubChem CID 120604302) has the molecular formula C19H29ClN4O3 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride
PubChem CID120604302
Molecular FormulaC19H29ClN4O3
Molecular Weight396.92 g/mol
Exact Mass396.19
IUPAC NameN-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)CNC(=O)CC1CCCCC1
InChIInChI=1S/C19H28N4O3.ClH/c20-10-11-21-19(26)15-8-4-5-9-16(15)23-18(25)13-22-17(24)12-14-6-2-1-3-7-14;/h4-5,8-9,14H,1-3,6-7,10-13,20H2,(H,21,26)(H,22,24)(H,23,25);1H
InChIKeyZDCNPHDQOPAZLL-UHFFFAOYSA-N
XLogP1.82
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide
CID 120604092
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
N-(2-aminoethyl)-2-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]benzamide;hydrochloride
CID 120603377
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119945219
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
CID 120604447
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 120603680
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide
CID 48735915
N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide
CID 107181192

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride (CID 120604302) is N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride is Cl.NCCNC(=O)c1ccccc1NC(=O)CNC(=O)CC1CCCCC1.
What is the InChIKey of N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride?
The InChIKey is ZDCNPHDQOPAZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3.ClH/c20-10-11-21-19(26)15-8-4-5-9-16(15)23-18(25)13-22-17(24)12-14-6-2-1-3-7-14;/h4-5,8-9,14H,1-3,6-7,10-13,20H2,(H,21,26)(H,22,24)(H,23,25);1H.
What are the key properties of N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 1.82, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 120604302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).