N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide

C14H19NO3 — CID 63744371

IUPACN-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(C)N(CCO)C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H19NO3/c1-10(2)15(5-6-16)14(17)11-3-4-12-8-18-9-13(12)7-11/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyAVFVUMBLZTWVPG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds4

About N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide

N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 63744371) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID63744371
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(C)N(CCO)C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H19NO3/c1-10(2)15(5-6-16)14(17)11-3-4-12-8-18-9-13(12)7-11/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyAVFVUMBLZTWVPG-UHFFFAOYSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63742331
4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 62678688
4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide
CID 112750807
3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
CID 43573118
N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
CID 67621245
N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbenzamide
CID 43573527
N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 43573520
6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 66465068
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
N-(2-hydroxyethyl)-3-methyl-4-nitro-N-propan-2-ylbenzamide
CID 43573129
4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide
CID 43573393
N-(2-hydroxyethyl)-4-nitro-N-propan-2-ylbenzamide
CID 43573013

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide (CID 63744371) is N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide is CC(C)N(CCO)C(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is AVFVUMBLZTWVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)15(5-6-16)14(17)11-3-4-12-8-18-9-13(12)7-11/h3-4,7,10,16H,5-6,8-9H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 63744371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).