2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide

C12H26N4O2 — CID 43083312

IUPAC2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCCN(CC)CC
InChIInChI=1S/C12H26N4O2/c1-5-13-12(18)15-11(17)10(4)14-8-9-16(6-2)7-3/h10,14H,5-9H2,1-4H3,(H2,13,15,17,18)
InChIKeyBMGSNIXKQNFYIC-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.15
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide

2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide (PubChem CID 43083312) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide
PubChem CID43083312
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCCN(CC)CC
InChIInChI=1S/C12H26N4O2/c1-5-13-12(18)15-11(17)10(4)14-8-9-16(6-2)7-3/h10,14H,5-9H2,1-4H3,(H2,13,15,17,18)
InChIKeyBMGSNIXKQNFYIC-UHFFFAOYSA-N
XLogP0.15
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-(2-hydroxyethylamino)propanamide
CID 43389341
3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43466733
N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide
CID 64913519
N-(ethylcarbamoyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanamide
CID 55127056
2-[5-(diethylamino)pentan-2-ylamino]-N-(ethylcarbamoyl)propanamide
CID 43083671
2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
CID 43112763
2-[2-(diethylamino)ethylamino]-N-pentan-2-ylpropanamide
CID 43112761
N-(ethylcarbamoyl)-2-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 65036025
2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide
CID 66171216
2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide
CID 114133454
N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902698
N-(ethylcarbamoyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724729

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide (CID 43083312) is 2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)NCCN(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide?
The InChIKey is BMGSNIXKQNFYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-5-13-12(18)15-11(17)10(4)14-8-9-16(6-2)7-3/h10,14H,5-9H2,1-4H3,(H2,13,15,17,18).
What are the key properties of 2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide?
2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide has a molecular weight of 258.37 g/mol, XLogP of 0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 43083312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).