2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride

C16H21ClN2O2 — CID 119789569

IUPAC2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
SMILESCc1c(CNC(=O)CNCC2CC2)oc2ccccc12.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-11-13-4-2-3-5-14(13)20-15(11)9-18-16(19)10-17-8-12-6-7-12;/h2-5,12,17H,6-10H2,1H3,(H,18,19);1H
InChIKeyGIYUOSFTEYAORN-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.78
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride (PubChem CID 119789569) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
PubChem CID119789569
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
SMILESCc1c(CNC(=O)CNCC2CC2)oc2ccccc12.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-11-13-4-2-3-5-14(13)20-15(11)9-18-16(19)10-17-8-12-6-7-12;/h2-5,12,17H,6-10H2,1H3,(H,18,19);1H
InChIKeyGIYUOSFTEYAORN-UHFFFAOYSA-N
XLogP2.78
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789587
2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 119754065
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119789555
N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
CID 143612119
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 97118509
2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 97118508
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 135089831
1-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119327004
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 72907586
4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide
CID 136536764
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride (CID 119789569) is 2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride is Cc1c(CNC(=O)CNCC2CC2)oc2ccccc12.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride?
The InChIKey is GIYUOSFTEYAORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.ClH/c1-11-13-4-2-3-5-14(13)20-15(11)9-18-16(19)10-17-8-12-6-7-12;/h2-5,12,17H,6-10H2,1H3,(H,18,19);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119789569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).