2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide

C14H28N2O — CID 81393570

IUPAC2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN[C@H](C)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-3-10-15-14(17)11-16-12(2)13-8-6-4-5-7-9-13/h12-13,16H,3-11H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyOXUOJVJJVVHMTE-GFCCVEGCSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds6

About 2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide

2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide (PubChem CID 81393570) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
PubChem CID81393570
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN[C@H](C)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-3-10-15-14(17)11-16-12(2)13-8-6-4-5-7-9-13/h12-13,16H,3-11H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyOXUOJVJJVVHMTE-GFCCVEGCSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-[[(1R)-1-cyclohexylethyl]amino]acetamide
CID 81384625
2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide
CID 115707135
N-cyclohexyl-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 43398679
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide
CID 81392388
N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393576
2-(1-cyclohexylethylamino)-N-pentan-2-ylacetamide
CID 62406812
N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
CID 62407707
2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81393575
2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide
CID 115903241
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393673
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide (CID 81393570) is 2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide is CCCNC(=O)CN[C@H](C)C1CCCCCC1.
What is the InChIKey of 2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide?
The InChIKey is OXUOJVJJVVHMTE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-10-15-14(17)11-16-12(2)13-8-6-4-5-7-9-13/h12-13,16H,3-11H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of 2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide?
2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide has a molecular weight of 240.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide is sourced from PubChem (CID 81393570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).