N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide

C20H22N2O2 — CID 119529618

IUPACN-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)NCC(N)c3ccccc3)oc12
InChIInChI=1S/C20H22N2O2/c1-12-9-10-13(2)18-17(12)14(3)19(24-18)20(23)22-11-16(21)15-7-5-4-6-8-15/h4-10,16H,11,21H2,1-3H3,(H,22,23)
InChIKeyMFIYXJGVQGDNPW-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.79
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide

N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 119529618) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID119529618
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)NCC(N)c3ccccc3)oc12
InChIInChI=1S/C20H22N2O2/c1-12-9-10-13(2)18-17(12)14(3)19(24-18)20(23)22-11-16(21)15-7-5-4-6-8-15/h4-10,16H,11,21H2,1-3H3,(H,22,23)
InChIKeyMFIYXJGVQGDNPW-UHFFFAOYSA-N
XLogP3.79
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119499601
N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 120650740
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
6-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 119219938
3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119434168
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-[3-(dimethylamino)-3-oxopropyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 47071817
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
3,4,7-trimethyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 122154945
N-(2-amino-2-phenylethyl)-3-methylpyridine-2-carboxamide
CID 55176966
N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 63120577
N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 111331453

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide (CID 119529618) is N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide is Cc1ccc(C)c2c(C)c(C(=O)NCC(N)c3ccccc3)oc12.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is MFIYXJGVQGDNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-12-9-10-13(2)18-17(12)14(3)19(24-18)20(23)22-11-16(21)15-7-5-4-6-8-15/h4-10,16H,11,21H2,1-3H3,(H,22,23).
What are the key properties of N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119529618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).