N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride

C13H27ClN4O2 — CID 119524542

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CNC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-13(2,9-14)17-11(18)8-15-12(19)16-10-6-4-3-5-7-10;/h10H,3-9,14H2,1-2H3,(H,17,18)(H2,15,16,19);1H
InChIKeyVARWPZBAWYQSSD-UHFFFAOYSA-N
MW306.84 g/mol
LogP0.89
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride (PubChem CID 119524542) has the molecular formula C13H27ClN4O2 and a molecular weight of 306.84 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride
PubChem CID119524542
Molecular FormulaC13H27ClN4O2
Molecular Weight306.84 g/mol
Exact Mass306.18
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CNC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-13(2,9-14)17-11(18)8-15-12(19)16-10-6-4-3-5-7-10;/h10H,3-9,14H2,1-2H3,(H,17,18)(H2,15,16,19);1H
InChIKeyVARWPZBAWYQSSD-UHFFFAOYSA-N
XLogP0.89
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea
CID 60970162
N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide
CID 119656351
N-(1-amino-2-methylpropan-2-yl)-3-cyclohexylpropanamide;hydrochloride
CID 119524224
1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea
CID 106141204
N-(1-amino-2-methylpropan-2-yl)-3-cyclopentylpropanamide;hydrochloride
CID 119260499
N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride
CID 119523315
2-(cyclohexylcarbamoylamino)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829409
2-(cyclobutylcarbamoylamino)-N-ethylacetamide
CID 115617813
2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47122602
N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide
CID 119569667
2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120597978

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride (CID 119524542) is N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride is CC(C)(CN)NC(=O)CNC(=O)NC1CCCCC1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride?
The InChIKey is VARWPZBAWYQSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2.ClH/c1-13(2,9-14)17-11(18)8-15-12(19)16-10-6-4-3-5-7-10;/h10H,3-9,14H2,1-2H3,(H,17,18)(H2,15,16,19);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 0.89, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride is sourced from PubChem (CID 119524542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).