N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride

C20H26ClN3O2 — CID 119607871

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-14(2)20(3,13-21)23-19(25)16-9-11-17(12-10-16)22-18(24)15-7-5-4-6-8-15;/h4-12,14H,13,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyJKQWUVXQWMNRJZ-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.46
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride (PubChem CID 119607871) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride
PubChem CID119607871
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-14(2)20(3,13-21)23-19(25)16-9-11-17(12-10-16)22-18(24)15-7-5-4-6-8-15;/h4-12,14H,13,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyJKQWUVXQWMNRJZ-UHFFFAOYSA-N
XLogP3.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119607897
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CID 119608679
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115
N-(1-amino-2,3-dimethylbutan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119605451
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CID 119605904
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
CID 119606296
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 119607400
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119607470
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
CID 119607023

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride (CID 119607871) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride?
The InChIKey is JKQWUVXQWMNRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-14(2)20(3,13-21)23-19(25)16-9-11-17(12-10-16)22-18(24)15-7-5-4-6-8-15;/h4-12,14H,13,21H2,1-3H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride is sourced from PubChem (CID 119607871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).