N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide

C20H22N2O2 — CID 97230701

IUPACN-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CN[C@H](C)c2oc3ccccc3c2C)c1
InChIInChI=1S/C20H22N2O2/c1-13-17-9-4-5-10-18(17)24-19(13)14(2)22-12-15-7-6-8-16(11-15)20(23)21-3/h4-11,14,22H,12H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyAANAPKDVBKEAFZ-CQSZACIVSA-N
MW322.41 g/mol
LogP3.95
Rot. Bonds5

About N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide

N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide (PubChem CID 97230701) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide
PubChem CID97230701
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CN[C@H](C)c2oc3ccccc3c2C)c1
InChIInChI=1S/C20H22N2O2/c1-13-17-9-4-5-10-18(17)24-19(13)14(2)22-12-15-7-6-8-16(11-15)20(23)21-3/h4-11,14,22H,12H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyAANAPKDVBKEAFZ-CQSZACIVSA-N
XLogP3.95
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-methyl-1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 99834293
3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide
CID 97230706
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 119047574
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 104578826
2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43777777
N-(2-methoxyethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 115707962
3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide
CID 22109365
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
N-[(1R)-1-[3-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 58417480
2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid
CID 120822841
N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 55789468

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide (CID 97230701) is N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide is CNC(=O)c1cccc(CN[C@H](C)c2oc3ccccc3c2C)c1.
What is the InChIKey of N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide?
The InChIKey is AANAPKDVBKEAFZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-17-9-4-5-10-18(17)24-19(13)14(2)22-12-15-7-6-8-16(11-15)20(23)21-3/h4-11,14,22H,12H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide?
N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 97230701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).