N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide

C15H30N4O2 — CID 119656351

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide
SMILESCN(CC(C)(C)CN)C(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C15H30N4O2/c1-15(2,10-16)11-19(3)13(20)9-17-14(21)18-12-7-5-4-6-8-12/h12H,4-11,16H2,1-3H3,(H2,17,18,21)
InChIKeyZUQLDOSONHHVMU-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.06
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide

N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide (PubChem CID 119656351) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide
PubChem CID119656351
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide
SMILESCN(CC(C)(C)CN)C(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C15H30N4O2/c1-15(2,10-16)11-19(3)13(20)9-17-14(21)18-12-7-5-4-6-8-12/h12H,4-11,16H2,1-3H3,(H2,17,18,21)
InChIKeyZUQLDOSONHHVMU-UHFFFAOYSA-N
XLogP1.06
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylcarbamoylamino)-N,N-dimethylacetamide
CID 38168189
2-(cyclohexylcarbamoylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 47412250
1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea
CID 79652798
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexylacetamide
CID 79651871
N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride
CID 119524542
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride
CID 119928901
1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea
CID 60970162
1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea
CID 106141204
1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539809
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
CID 79665477
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopentylpropanamide
CID 79667958

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide (CID 119656351) is N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide is CN(CC(C)(C)CN)C(=O)CNC(=O)NC1CCCCC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide?
The InChIKey is ZUQLDOSONHHVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-15(2,10-16)11-19(3)13(20)9-17-14(21)18-12-7-5-4-6-8-12/h12H,4-11,16H2,1-3H3,(H2,17,18,21).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide?
N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide has a molecular weight of 298.43 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide is sourced from PubChem (CID 119656351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).