2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide

C17H22N2O3 — CID 131905130

IUPAC2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide
SMILESCc1cc2cc(NC(=O)C(C)(C)N3CCOCC3)ccc2o1
InChIInChI=1S/C17H22N2O3/c1-12-10-13-11-14(4-5-15(13)22-12)18-16(20)17(2,3)19-6-8-21-9-7-19/h4-5,10-11H,6-9H2,1-3H3,(H,18,20)
InChIKeyDHIHXYIGWNTGHB-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.79
Rot. Bonds3

About 2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide

2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide (PubChem CID 131905130) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide
PubChem CID131905130
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide
SMILESCc1cc2cc(NC(=O)C(C)(C)N3CCOCC3)ccc2o1
InChIInChI=1S/C17H22N2O3/c1-12-10-13-11-14(4-5-15(13)22-12)18-16(20)17(2,3)19-6-8-21-9-7-19/h4-5,10-11H,6-9H2,1-3H3,(H,18,20)
InChIKeyDHIHXYIGWNTGHB-UHFFFAOYSA-N
XLogP2.79
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropanamide;hydrochloride
CID 174852443
N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylbenzamide
CID 131952544
methyl N-(2-methyl-1-benzofuran-5-yl)carbamate
CID 154667051
N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide
CID 72870610
4-acetyl-N-(2-methyl-1-benzofuran-5-yl)-1,4-diazepane-1-carboxamide
CID 72920823
N-(2,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropanamide;hydrochloride
CID 174853192
2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide
CID 131937279
N-[(2-methyl-1-benzofuran-5-yl)carbamothioyl]acetamide
CID 20691246
1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea
CID 118770523
4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide
CID 72923232
1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide
CID 131924095
(2-methyl-1-benzofuran-5-yl)hydrazine
CID 45122640

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide?
The IUPAC name of 2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide (CID 131905130) is 2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide?
The canonical SMILES for 2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide is Cc1cc2cc(NC(=O)C(C)(C)N3CCOCC3)ccc2o1.
What is the InChIKey of 2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide?
The InChIKey is DHIHXYIGWNTGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-10-13-11-14(4-5-15(13)22-12)18-16(20)17(2,3)19-6-8-21-9-7-19/h4-5,10-11H,6-9H2,1-3H3,(H,18,20).
What are the key properties of 2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide?
2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide has a molecular weight of 302.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 131905130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).