2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide

C15H28N4O2 — CID 116652666

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NC1CCCCC1)C(CN)C1CC1
InChIInChI=1S/C15H28N4O2/c1-19(13(9-16)11-7-8-11)10-14(20)18-15(21)17-12-5-3-2-4-6-12/h11-13H,2-10,16H2,1H3,(H2,17,18,20,21)
InChIKeyUDDHTKVHHOOEBY-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.81
Rot. Bonds6

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide (PubChem CID 116652666) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide
PubChem CID116652666
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NC1CCCCC1)C(CN)C1CC1
InChIInChI=1S/C15H28N4O2/c1-19(13(9-16)11-7-8-11)10-14(20)18-15(21)17-12-5-3-2-4-6-12/h11-13H,2-10,16H2,1H3,(H2,17,18,20,21)
InChIKeyUDDHTKVHHOOEBY-UHFFFAOYSA-N
XLogP0.81
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclopropylacetamide
CID 116652957
3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide
CID 116653118
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide
CID 116652481
2-[[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-methylamino]-N-cyclopropylacetamide
CID 116653040
2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78825177
2-[cyclohexyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 40706155
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide
CID 116652513
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide
CID 116653113
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638909
N-(cyclohexylcarbamoyl)-2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetamide
CID 47055622

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide (CID 116652666) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide is CN(CC(=O)NC(=O)NC1CCCCC1)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide?
The InChIKey is UDDHTKVHHOOEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-19(13(9-16)11-7-8-11)10-14(20)18-15(21)17-12-5-3-2-4-6-12/h11-13H,2-10,16H2,1H3,(H2,17,18,20,21).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide has a molecular weight of 296.42 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide is sourced from PubChem (CID 116652666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).