2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

C16H31N3O2 — CID 106592776

IUPAC2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C16H31N3O2/c1-5-19(10-15(20)18-11(2)3)16(21)12(4)13-7-6-8-14(17)9-13/h11-14H,5-10,17H2,1-4H3,(H,18,20)
InChIKeyLHPVSROYTJYHLR-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.51
Rot. Bonds6

About 2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 106592776) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
PubChem CID106592776
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C16H31N3O2/c1-5-19(10-15(20)18-11(2)3)16(21)12(4)13-7-6-8-14(17)9-13/h11-14H,5-10,17H2,1-4H3,(H,18,20)
InChIKeyLHPVSROYTJYHLR-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide
CID 79468061
2-(3-aminocyclohexyl)-N,N-dibutylpropanamide
CID 106592670
2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide
CID 106592635
3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113416182
2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide
CID 106592757
2-(3-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-cyclopentylpropanamide
CID 106592765
2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 64824749
2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide
CID 106592908
(2R)-2-amino-N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 79012433
2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 106593074
2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide
CID 106593084
2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 65249916

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (CID 106592776) is 2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is CCN(CC(=O)NC(C)C)C(=O)C(C)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is LHPVSROYTJYHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-19(10-15(20)18-11(2)3)16(21)12(4)13-7-6-8-14(17)9-13/h11-14H,5-10,17H2,1-4H3,(H,18,20).
What are the key properties of 2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 297.44 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 106592776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).