N-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide

C13H23N3O4 — CID 177435341

IUPACN-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNC(=O)COCC(=O)N(CC)CC
InChIInChI=1S/C13H23N3O4/c1-4-11(17)14-7-8-15-12(18)9-20-10-13(19)16(5-2)6-3/h4H,1,5-10H2,2-3H3,(H,14,17)(H,15,18)
InChIKeyHCYGALWNVZJQAG-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.71
Rot. Bonds10

About N-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide

N-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide (PubChem CID 177435341) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide
PubChem CID177435341
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC NameN-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNC(=O)COCC(=O)N(CC)CC
InChIInChI=1S/C13H23N3O4/c1-4-11(17)14-7-8-15-12(18)9-20-10-13(19)16(5-2)6-3/h4H,1,5-10H2,2-3H3,(H,14,17)(H,15,18)
InChIKeyHCYGALWNVZJQAG-UHFFFAOYSA-N
XLogP-0.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
CID 12729092
N,N-Diethyl-6-oxo-8,11-dioxa-5-aza-1-silatridecan-13-amide
CID 78060548
N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118586506
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-N-ethyl-N-prop-2-enylacetamide
CID 166930748
N-[3-(prop-2-enoylamino)propyl]propanamide
CID 45119504
N-[2-(diethylcarbamoylamino)ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574836
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane
CID 144591761
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
N,N-dimethyl-3-(prop-2-enoylamino)propanamide
CID 19971020
6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 166503839
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide (CID 177435341) is N-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide is C=CC(=O)NCCNC(=O)COCC(=O)N(CC)CC.
What is the InChIKey of N-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide?
The InChIKey is HCYGALWNVZJQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-4-11(17)14-7-8-15-12(18)9-20-10-13(19)16(5-2)6-3/h4H,1,5-10H2,2-3H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide?
N-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide has a molecular weight of 285.34 g/mol, XLogP of -0.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 177435341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).