3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide

C15H29N3O2 — CID 80700473

IUPAC3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CN(CC)C(=O)CCC1CCCC(N)C1
InChIInChI=1S/C15H29N3O2/c1-3-17-14(19)11-18(4-2)15(20)9-8-12-6-5-7-13(16)10-12/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyLBZGETJNFXDQII-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.27
Rot. Bonds7

About 3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide

3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide (PubChem CID 80700473) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
PubChem CID80700473
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CN(CC)C(=O)CCC1CCCC(N)C1
InChIInChI=1S/C15H29N3O2/c1-3-17-14(19)11-18(4-2)15(20)9-8-12-6-5-7-13(16)10-12/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyLBZGETJNFXDQII-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
CID 62781434
2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide
CID 79467932
2-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 64825146
3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 60937942
2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide
CID 79469564
3-(3-aminocyclohexyl)-N-butan-2-yl-N-methylpropanamide
CID 80701676
3-(3-aminocyclohexyl)-N-methyl-N-propan-2-ylpropanamide
CID 80701423
9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984824
3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
CID 80700557
7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide
CID 54878536
3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83118112
3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 80693936

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide (CID 80700473) is 3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide is CCNC(=O)CN(CC)C(=O)CCC1CCCC(N)C1.
What is the InChIKey of 3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The InChIKey is LBZGETJNFXDQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-17-14(19)11-18(4-2)15(20)9-8-12-6-5-7-13(16)10-12/h12-13H,3-11,16H2,1-2H3,(H,17,19).
What are the key properties of 3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide has a molecular weight of 283.42 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 80700473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).