N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide

C13H27N3O2 — CID 108573873

IUPACN-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCNC(=O)N(CC)CC
InChIInChI=1S/C13H27N3O2/c1-5-11(6-2)12(17)14-9-10-15-13(18)16(7-3)8-4/h11H,5-10H2,1-4H3,(H,14,17)(H,15,18)
InChIKeyMVARJFODJLXDSM-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.59
Rot. Bonds8

About N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide

N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide (PubChem CID 108573873) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide
PubChem CID108573873
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCNC(=O)N(CC)CC
InChIInChI=1S/C13H27N3O2/c1-5-11(6-2)12(17)14-9-10-15-13(18)16(7-3)8-4/h11H,5-10H2,1-4H3,(H,14,17)(H,15,18)
InChIKeyMVARJFODJLXDSM-UHFFFAOYSA-N
XLogP1.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide
CID 108570927
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide
CID 65229755
N-butan-2-yl-3-(diethylcarbamoylamino)propanamide
CID 115589357
1-ethyl-1-(2-ethylbutyl)-3-propylurea
CID 115583094
N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 108570702
N-[2-(diethylcarbamoylamino)ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574836
1,1-diethyl-3-(3,3,3-trifluoropropyl)urea
CID 115650872
N-[2-(diethylamino)propyl]-2-ethylbutanamide
CID 78883396
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
4-bromo-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108571340
2-ethyl-N-[3-(2-ethylbutanoylamino)-2-oxopropyl]butanamide
CID 71392094

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide (CID 108573873) is N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCNC(=O)N(CC)CC.
What is the InChIKey of N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide?
The InChIKey is MVARJFODJLXDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-11(6-2)12(17)14-9-10-15-13(18)16(7-3)8-4/h11H,5-10H2,1-4H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide?
N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide has a molecular weight of 257.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 108573873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).