N,N-diethyl-3-(methylcarbamoylamino)propanamide

C9H19N3O2 — CID 115588408

IUPACN,N-diethyl-3-(methylcarbamoylamino)propanamide
SMILESCCN(CC)C(=O)CCNC(=O)NC
InChIInChI=1S/C9H19N3O2/c1-4-12(5-2)8(13)6-7-11-9(14)10-3/h4-7H2,1-3H3,(H2,10,11,14)
InChIKeyUGVNNNHQARHCJS-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.17
Rot. Bonds5

About N,N-diethyl-3-(methylcarbamoylamino)propanamide

N,N-diethyl-3-(methylcarbamoylamino)propanamide (PubChem CID 115588408) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N,N-diethyl-3-(methylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(methylcarbamoylamino)propanamide
PubChem CID115588408
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN,N-diethyl-3-(methylcarbamoylamino)propanamide
SMILESCCN(CC)C(=O)CCNC(=O)NC
InChIInChI=1S/C9H19N3O2/c1-4-12(5-2)8(13)6-7-11-9(14)10-3/h4-7H2,1-3H3,(H2,10,11,14)
InChIKeyUGVNNNHQARHCJS-UHFFFAOYSA-N
XLogP0.17
TPSA61.44 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 ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N,N-diethylpropanamide;ethane
CID 143532923
2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 113363370
2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide
CID 82110412
(2S)-2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]-3,3-dimethylbutanoic acid
CID 103996460
N',N'-diethyl-N-methylbutanediamide
CID 177056307
3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide
CID 62728135
2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide
CID 65229755
N,N-dimethyl-4-(methylcarbamoylamino)butanamide
CID 59006534
N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide
CID 107034718
N-ethyl-3-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 62832119
3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
CID 119177201
1-methyl-3-(7-oxononyl)urea
CID 158424786

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(methylcarbamoylamino)propanamide?
The IUPAC name of N,N-diethyl-3-(methylcarbamoylamino)propanamide (CID 115588408) is N,N-diethyl-3-(methylcarbamoylamino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(methylcarbamoylamino)propanamide?
The canonical SMILES for N,N-diethyl-3-(methylcarbamoylamino)propanamide is CCN(CC)C(=O)CCNC(=O)NC.
What is the InChIKey of N,N-diethyl-3-(methylcarbamoylamino)propanamide?
The InChIKey is UGVNNNHQARHCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-12(5-2)8(13)6-7-11-9(14)10-3/h4-7H2,1-3H3,(H2,10,11,14).
What are the key properties of N,N-diethyl-3-(methylcarbamoylamino)propanamide?
N,N-diethyl-3-(methylcarbamoylamino)propanamide has a molecular weight of 201.27 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(methylcarbamoylamino)propanamide is sourced from PubChem (CID 115588408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).