3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide

C14H27N3O2 — CID 112685323

IUPAC3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCC(=O)N(CC)C1CC1
InChIInChI=1S/C14H27N3O2/c1-4-16(5-2)13(18)9-10-15-11-14(19)17(6-3)12-7-8-12/h12,15H,4-11H2,1-3H3
InChIKeyDDISBUDQMOYLHG-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.85
Rot. Bonds9

About 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide

3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide (PubChem CID 112685323) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide
PubChem CID112685323
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCC(=O)N(CC)C1CC1
InChIInChI=1S/C14H27N3O2/c1-4-16(5-2)13(18)9-10-15-11-14(19)17(6-3)12-7-8-12/h12,15H,4-11H2,1-3H3
InChIKeyDDISBUDQMOYLHG-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-ethyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 112685260
N-cyclopropyl-N-ethyl-2-(3-methylbutylamino)acetamide
CID 60975211
N-cyclopropyl-2-(2-ethoxyethylamino)-N-ethylacetamide
CID 60976287
N-cyclopropyl-2-[3-(diethylamino)propylamino]-N-ethylacetamide
CID 54957328
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465978
N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
N-cyclopentyl-N-ethyl-3-(ethylamino)propanamide
CID 62831926
3-(cyclopentylmethylamino)-N,N-diethylpropanamide
CID 62069829
4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473494
N-cyclopropyl-3-(cyclopropylamino)-N-ethylpropanamide
CID 60841219
N-cyclohexyl-N-ethyl-2-(ethylamino)acetamide
CID 60686638
N-cyclopropyl-N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]acetamide
CID 66006581

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide (CID 112685323) is 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNCC(=O)N(CC)C1CC1.
What is the InChIKey of 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide?
The InChIKey is DDISBUDQMOYLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-16(5-2)13(18)9-10-15-11-14(19)17(6-3)12-7-8-12/h12,15H,4-11H2,1-3H3.
What are the key properties of 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide?
3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 0.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide is sourced from PubChem (CID 112685323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).