3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide

C16H23N3O4 — CID 47031231

IUPAC3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)CCNC(N)=O)c2O1
InChIInChI=1S/C16H23N3O4/c1-16(2)10-11-4-3-5-12(14(11)23-16)22-9-8-18-13(20)6-7-19-15(17)21/h3-5H,6-10H2,1-2H3,(H,18,20)(H3,17,19,21)
InChIKeyJOLOBUQPKSTYED-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.95
Rot. Bonds7

About 3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide

3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide (PubChem CID 47031231) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
PubChem CID47031231
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)CCNC(N)=O)c2O1
InChIInChI=1S/C16H23N3O4/c1-16(2)10-11-4-3-5-12(14(11)23-16)22-9-8-18-13(20)6-7-19-15(17)21/h3-5H,6-10H2,1-2H3,(H,18,20)(H3,17,19,21)
InChIKeyJOLOBUQPKSTYED-UHFFFAOYSA-N
XLogP0.95
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4918924
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-N',N'-dipropylpentanediamide
CID 56540773
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 55761073
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55637211
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 46575837
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclohexanecarboxamide
CID 39285980
N-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55637212
1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-(3-sulfamoylphenyl)urea
CID 38234241
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]ethyl-dimethylazanium
CID 7858818
4-(acetamidomethyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 39284743
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39285294
3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 31825043

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide (CID 47031231) is 3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide is CC1(C)Cc2cccc(OCCNC(=O)CCNC(N)=O)c2O1.
What is the InChIKey of 3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide?
The InChIKey is JOLOBUQPKSTYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-16(2)10-11-4-3-5-12(14(11)23-16)22-9-8-18-13(20)6-7-19-15(17)21/h3-5H,6-10H2,1-2H3,(H,18,20)(H3,17,19,21).
What are the key properties of 3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide?
3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide has a molecular weight of 321.38 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide is sourced from PubChem (CID 47031231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).