N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide

C19H22N2O2 — CID 19065262

IUPACN-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide
SMILESO=C(NCCCNCC1Cc2ccccc2O1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c22-19(15-7-2-1-3-8-15)21-12-6-11-20-14-17-13-16-9-4-5-10-18(16)23-17/h1-5,7-10,17,20H,6,11-14H2,(H,21,22)
InChIKeyZFBHZSNAUDRLPD-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.40
Rot. Bonds7

About N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide

N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide (PubChem CID 19065262) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide
PubChem CID19065262
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide
SMILESO=C(NCCCNCC1Cc2ccccc2O1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c22-19(15-7-2-1-3-8-15)21-12-6-11-20-14-17-13-16-9-4-5-10-18(16)23-17/h1-5,7-10,17,20H,6,11-14H2,(H,21,22)
InChIKeyZFBHZSNAUDRLPD-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide
CID 19065269
N-[3-[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]propyl]benzamide
CID 111949083
N-[3-[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111949082
N-[2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]ethyl]-4-fluorobenzamide;hydrochloride
CID 139824743
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
CID 106237490
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]methanesulfonamide
CID 106336807
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61003695
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide
CID 62325690
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide?
The IUPAC name of N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide (CID 19065262) is N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide.
What is the SMILES notation for N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide?
The canonical SMILES for N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide is O=C(NCCCNCC1Cc2ccccc2O1)c1ccccc1.
What is the InChIKey of N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide?
The InChIKey is ZFBHZSNAUDRLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(15-7-2-1-3-8-15)21-12-6-11-20-14-17-13-16-9-4-5-10-18(16)23-17/h1-5,7-10,17,20H,6,11-14H2,(H,21,22).
What are the key properties of N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide?
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 19065262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).