N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride

C14H23ClN4O2 — CID 119640724

IUPACN-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cccc(NC(N)=O)c1.Cl
InChIInChI=1S/C14H22N4O2.ClH/c1-3-14(16,4-2)9-17-12(19)10-6-5-7-11(8-10)18-13(15)20;/h5-8H,3-4,9,16H2,1-2H3,(H,17,19)(H3,15,18,20);1H
InChIKeyOATYBEKMEWFNAC-UHFFFAOYSA-N
MW314.82 g/mol
LogP1.85
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride (PubChem CID 119640724) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride
PubChem CID119640724
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cccc(NC(N)=O)c1.Cl
InChIInChI=1S/C14H22N4O2.ClH/c1-3-14(16,4-2)9-17-12(19)10-6-5-7-11(8-10)18-13(15)20;/h5-8H,3-4,9,16H2,1-2H3,(H,17,19)(H3,15,18,20);1H
InChIKeyOATYBEKMEWFNAC-UHFFFAOYSA-N
XLogP1.85
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119643191
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 119643641
N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119640175
N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride
CID 119641082
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide
CID 119640034
N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257
N-(3-aminobutyl)-3-(carbamoylamino)benzamide
CID 119496000
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563
1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea
CID 113283188
N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
CID 81482515
3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
CID 81482947

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride (CID 119640724) is N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride is CCC(N)(CC)CNC(=O)c1cccc(NC(N)=O)c1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride?
The InChIKey is OATYBEKMEWFNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2.ClH/c1-3-14(16,4-2)9-17-12(19)10-6-5-7-11(8-10)18-13(15)20;/h5-8H,3-4,9,16H2,1-2H3,(H,17,19)(H3,15,18,20);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 1.85, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119640724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).