N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride

C16H26Cl2N4O2 — CID 119641198

IUPACN-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CNC(=O)NCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H25ClN4O2.ClH/c1-3-16(18,4-2)11-21-14(22)10-20-15(23)19-9-12-5-7-13(17)8-6-12;/h5-8H,3-4,9-11,18H2,1-2H3,(H,21,22)(H2,19,20,23);1H
InChIKeyJDMICVRXCVGUAZ-UHFFFAOYSA-N
MW377.32 g/mol
LogP2.19
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride (PubChem CID 119641198) has the molecular formula C16H26Cl2N4O2 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
PubChem CID119641198
Molecular FormulaC16H26Cl2N4O2
Molecular Weight377.32 g/mol
Exact Mass376.14
IUPAC NameN-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CNC(=O)NCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H25ClN4O2.ClH/c1-3-16(18,4-2)11-21-14(22)10-20-15(23)19-9-12-5-7-13(17)8-6-12;/h5-8H,3-4,9-11,18H2,1-2H3,(H,21,22)(H2,19,20,23);1H
InChIKeyJDMICVRXCVGUAZ-UHFFFAOYSA-N
XLogP2.19
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
CID 81484294
N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119642531
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078
3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide
CID 56813966
1-[(4-chlorophenyl)methyl]-3-(2,2-diethyl-4-hydroxybutyl)urea
CID 111499071
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 119261247
2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439500
1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
CID 113213436
N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
CID 119641139
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863
N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
CID 122080857
2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 78907391

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride (CID 119641198) is N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride is CCC(N)(CC)CNC(=O)CNC(=O)NCc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride?
The InChIKey is JDMICVRXCVGUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O2.ClH/c1-3-16(18,4-2)11-21-14(22)10-20-15(23)19-9-12-5-7-13(17)8-6-12;/h5-8H,3-4,9-11,18H2,1-2H3,(H,21,22)(H2,19,20,23);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride has a molecular weight of 377.32 g/mol, XLogP of 2.19, 8 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)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride is sourced from PubChem (CID 119641198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).