N-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide

C14H25N3O4 — CID 58862832

IUPACN-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide
SMILESC=COCCCNC(=O)CNCC(=O)NCCCOC=C
InChIInChI=1S/C14H25N3O4/c1-3-20-9-5-7-16-13(18)11-15-12-14(19)17-8-6-10-21-4-2/h3-4,15H,1-2,5-12H2,(H,16,18)(H,17,19)
InChIKeyFVQRKPGIKUMBIY-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.09
Rot. Bonds14

About N-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide

N-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide (PubChem CID 58862832) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide
PubChem CID58862832
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC NameN-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide
SMILESC=COCCCNC(=O)CNCC(=O)NCCCOC=C
InChIInChI=1S/C14H25N3O4/c1-3-20-9-5-7-16-13(18)11-15-12-14(19)17-8-6-10-21-4-2/h3-4,15H,1-2,5-12H2,(H,16,18)(H,17,19)
InChIKeyFVQRKPGIKUMBIY-UHFFFAOYSA-N
XLogP-0.09
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-isobutyl-N'-[2-(vinyloxy)ethyl]ethanediamide
CID 2291810
N,N'-Bis-(3-ethoxy-propyl)-oxalamide
CID 3127284
N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261094
N-butyl-N'-(3-methoxypropyl)oxamide
CID 2271137
N-(3-methoxypropyl)-N'-(prop-2-en-1-yl)ethanediamide
CID 2272322
N-(3-methoxypropyl)-2-(methylamino)acetamide
CID 7131338
N-(3-ethoxypropyl)-2-(methylamino)acetamide
CID 24705584
2-(3-ethoxypropylamino)-N-propylacetamide
CID 28584599
2-(dimethylamino)-N-(3-methoxypropyl)acetamide
CID 54844116
[2-(3-Methoxypropylamino)-2-oxoethyl]-trimethylazanium
CID 57641749
ethane;N-(3-ethoxypropyl)-2-(methylamino)acetamide
CID 91016271
ethane;N-(3-methoxypropyl)-2-(methylamino)acetamide
CID 91410041

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide (CID 58862832) is N-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide is C=COCCCNC(=O)CNCC(=O)NCCCOC=C.
What is the InChIKey of N-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide?
The InChIKey is FVQRKPGIKUMBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-20-9-5-7-16-13(18)11-15-12-14(19)17-8-6-10-21-4-2/h3-4,15H,1-2,5-12H2,(H,16,18)(H,17,19).
What are the key properties of N-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide?
N-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide has a molecular weight of 299.37 g/mol, XLogP of -0.09, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-2-[[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 58862832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).