N-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide

C24H27NO3 — CID 18200624

IUPACN-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)oc2ccccc12
InChIInChI=1S/C24H27NO3/c1-16(2)18-10-8-17(9-11-18)14-25(19-12-13-19)24(26)23-21(15-27-3)20-6-4-5-7-22(20)28-23/h4-11,16,19H,12-15H2,1-3H3
InChIKeyULTCHLSPKHBHDF-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.51
Rot. Bonds7

About N-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide

N-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 18200624) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID18200624
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)oc2ccccc12
InChIInChI=1S/C24H27NO3/c1-16(2)18-10-8-17(9-11-18)14-25(19-12-13-19)24(26)23-21(15-27-3)20-6-4-5-7-22(20)28-23/h4-11,16,19H,12-15H2,1-3H3
InChIKeyULTCHLSPKHBHDF-UHFFFAOYSA-N
XLogP5.51
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 9092877
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide
CID 52892962
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 8533387
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51153654
3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 55335651
N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide
CID 31784547
[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551433
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551738
N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 78813388
N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 31784519
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide (CID 18200624) is N-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide is COCc1c(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)oc2ccccc12.
What is the InChIKey of N-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is ULTCHLSPKHBHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-16(2)18-10-8-17(9-11-18)14-25(19-12-13-19)24(26)23-21(15-27-3)20-6-4-5-7-22(20)28-23/h4-11,16,19H,12-15H2,1-3H3.
What are the key properties of N-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
N-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 377.48 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18200624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).