3-(dimethylamino)-N-(3-oxopropyl)propanamide

C8H16N2O2 — CID 142174059

IUPAC3-(dimethylamino)-N-(3-oxopropyl)propanamide
SMILESCN(C)CCC(=O)NCCC=O
InChIInChI=1S/C8H16N2O2/c1-10(2)6-4-8(12)9-5-3-7-11/h7H,3-6H2,1-2H3,(H,9,12)
InChIKeyWEBSOVOECYIGER-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.36
Rot. Bonds6

About 3-(dimethylamino)-N-(3-oxopropyl)propanamide

3-(dimethylamino)-N-(3-oxopropyl)propanamide (PubChem CID 142174059) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(3-oxopropyl)propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(3-oxopropyl)propanamide
PubChem CID142174059
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-(dimethylamino)-N-(3-oxopropyl)propanamide
SMILESCN(C)CCC(=O)NCCC=O
InChIInChI=1S/C8H16N2O2/c1-10(2)6-4-8(12)9-5-3-7-11/h7H,3-6H2,1-2H3,(H,9,12)
InChIKeyWEBSOVOECYIGER-UHFFFAOYSA-N
XLogP-0.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-(3-oxopropyl)acetamide
CID 87106405
bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide
CID 158308072
3-(dimethylamino)-N-[2-(2-methoxyethylamino)ethyl]propanamide
CID 83039390
N-(3-oxopropyl)octanamide
CID 163482929
methane;3-methoxy-N-(3-oxopropyl)propanamide
CID 160698197
N-[2-(dimethylamino)ethyl]pent-4-enamide
CID 158602518
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide
CID 138736388
4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide
CID 23187599
3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 167166577
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
(E)-N-[2-(dimethylamino)ethyl]oct-4-enamide
CID 102117814

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(3-oxopropyl)propanamide?
The IUPAC name of 3-(dimethylamino)-N-(3-oxopropyl)propanamide (CID 142174059) is 3-(dimethylamino)-N-(3-oxopropyl)propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-(3-oxopropyl)propanamide?
The canonical SMILES for 3-(dimethylamino)-N-(3-oxopropyl)propanamide is CN(C)CCC(=O)NCCC=O.
What is the InChIKey of 3-(dimethylamino)-N-(3-oxopropyl)propanamide?
The InChIKey is WEBSOVOECYIGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(2)6-4-8(12)9-5-3-7-11/h7H,3-6H2,1-2H3,(H,9,12).
What are the key properties of 3-(dimethylamino)-N-(3-oxopropyl)propanamide?
3-(dimethylamino)-N-(3-oxopropyl)propanamide has a molecular weight of 172.23 g/mol, XLogP of -0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(3-oxopropyl)propanamide is sourced from PubChem (CID 142174059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).