N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide

C12H25N3O2 — CID 108570927

IUPACN-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide
SMILESCCN(CC)C(=O)NCCNC(=O)CC(C)C
InChIInChI=1S/C12H25N3O2/c1-5-15(6-2)12(17)14-8-7-13-11(16)9-10(3)4/h10H,5-9H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyUXEUGBABSQDTBA-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.20
Rot. Bonds7

About N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide

N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide (PubChem CID 108570927) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide
PubChem CID108570927
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide
SMILESCCN(CC)C(=O)NCCNC(=O)CC(C)C
InChIInChI=1S/C12H25N3O2/c1-5-15(6-2)12(17)14-8-7-13-11(16)9-10(3)4/h10H,5-9H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyUXEUGBABSQDTBA-UHFFFAOYSA-N
XLogP1.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.20
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-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 146890842
N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide
CID 108573873
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
CID 135196463
N-butan-2-yl-3-(diethylcarbamoylamino)propanamide
CID 115589357
2-(diethylcarbamoylamino)-N-propylacetamide
CID 115575868
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide
CID 108538544
N-[2-(diethylcarbamoylamino)ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574836
N-[2-(3-methylbutanoylamino)ethyl]dodecanamide
CID 90261922
1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea
CID 83030843

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide (CID 108570927) is N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide is CCN(CC)C(=O)NCCNC(=O)CC(C)C.
What is the InChIKey of N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide?
The InChIKey is UXEUGBABSQDTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-15(6-2)12(17)14-8-7-13-11(16)9-10(3)4/h10H,5-9H2,1-4H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide?
N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide has a molecular weight of 243.35 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 108570927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).