N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide

C15H19NO3 — CID 54916950

IUPACN-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO3/c1-11(2)16(8-5-9-17)15(18)14-10-12-6-3-4-7-13(12)19-14/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3
InChIKeyDDHCRSXQSOPLKG-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.67
Rot. Bonds5

About N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide

N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 54916950) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
PubChem CID54916950
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO3/c1-11(2)16(8-5-9-17)15(18)14-10-12-6-3-4-7-13(12)19-14/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3
InChIKeyDDHCRSXQSOPLKG-UHFFFAOYSA-N
XLogP2.67
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 80666605
N-cyclobutyl-N-(3-hydroxypropyl)-1-benzofuran-2-carboxamide
CID 102866226
N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide
CID 63396036
5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide
CID 61092813
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-2-carboxamide
CID 61040144
4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid
CID 43235400
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 8698129
4-hydroxybutan-2-yl 1-benzofuran-2-carboxylate
CID 91575458
5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 61094573
N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
CID 61039022
N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 80660638
5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040008

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide (CID 54916950) is N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide is CC(C)N(CCCO)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is DDHCRSXQSOPLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(2)16(8-5-9-17)15(18)14-10-12-6-3-4-7-13(12)19-14/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide?
N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 54916950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).