3-(diethylcarbamoylamino)butanamide

C9H19N3O2 — CID 115650436

IUPAC3-(diethylcarbamoylamino)butanamide
SMILESCCN(CC)C(=O)NC(C)CC(N)=O
InChIInChI=1S/C9H19N3O2/c1-4-12(5-2)9(14)11-7(3)6-8(10)13/h7H,4-6H2,1-3H3,(H2,10,13)(H,11,14)
InChIKeyCLWCAYSBYXZZNP-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds5

About 3-(diethylcarbamoylamino)butanamide

3-(diethylcarbamoylamino)butanamide (PubChem CID 115650436) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(diethylcarbamoylamino)butanamide.

Molecular Properties

Compound Name3-(diethylcarbamoylamino)butanamide
PubChem CID115650436
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-(diethylcarbamoylamino)butanamide
SMILESCCN(CC)C(=O)NC(C)CC(N)=O
InChIInChI=1S/C9H19N3O2/c1-4-12(5-2)9(14)11-7(3)6-8(10)13/h7H,4-6H2,1-3H3,(H2,10,13)(H,11,14)
InChIKeyCLWCAYSBYXZZNP-UHFFFAOYSA-N
XLogP0.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-heptan-2-ylurea
CID 78889279
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 61208407
(2S)-4-amino-2-[[ethyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
CID 79470692
6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid
CID 103103599
3-(ethylamino)butanamide
CID 18792210
propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 116657976
1,1-diethyl-3-[(2S)-1-oxopropan-2-yl]urea
CID 87454696
CID 178036338
CID 178036338
(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107825753
4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61186230
(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide
CID 100933689
3-(methylcarbamothioylamino)butanamide
CID 116510284

Frequently Asked Questions

What is the IUPAC name of 3-(diethylcarbamoylamino)butanamide?
The IUPAC name of 3-(diethylcarbamoylamino)butanamide (CID 115650436) is 3-(diethylcarbamoylamino)butanamide.
What is the SMILES notation for 3-(diethylcarbamoylamino)butanamide?
The canonical SMILES for 3-(diethylcarbamoylamino)butanamide is CCN(CC)C(=O)NC(C)CC(N)=O.
What is the InChIKey of 3-(diethylcarbamoylamino)butanamide?
The InChIKey is CLWCAYSBYXZZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-12(5-2)9(14)11-7(3)6-8(10)13/h7H,4-6H2,1-3H3,(H2,10,13)(H,11,14).
What are the key properties of 3-(diethylcarbamoylamino)butanamide?
3-(diethylcarbamoylamino)butanamide has a molecular weight of 201.27 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylcarbamoylamino)butanamide is sourced from PubChem (CID 115650436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).