N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide

C21H24N2O2 — CID 112811052

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide
SMILESCc1cc(C)cc(NC(C)C(=O)NC(C)c2cc3ccccc3o2)c1
InChIInChI=1S/C21H24N2O2/c1-13-9-14(2)11-18(10-13)22-16(4)21(24)23-15(3)20-12-17-7-5-6-8-19(17)25-20/h5-12,15-16,22H,1-4H3,(H,23,24)
InChIKeyKQHYSFHFWMKDCF-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.73
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide (PubChem CID 112811052) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide
PubChem CID112811052
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide
SMILESCc1cc(C)cc(NC(C)C(=O)NC(C)c2cc3ccccc3o2)c1
InChIInChI=1S/C21H24N2O2/c1-13-9-14(2)11-18(10-13)22-16(4)21(24)23-15(3)20-12-17-7-5-6-8-19(17)25-20/h5-12,15-16,22H,1-4H3,(H,23,24)
InChIKeyKQHYSFHFWMKDCF-UHFFFAOYSA-N
XLogP4.73
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
3-amino-4-[1-(1-benzofuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 64894336
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
(2S)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-bromophenoxy)propanamide
CID 9367367
N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 112810932
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 107568604
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437708
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea
CID 41437717
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437716
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38929440
(2R)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38929442

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide (CID 112811052) is N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide is Cc1cc(C)cc(NC(C)C(=O)NC(C)c2cc3ccccc3o2)c1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide?
The InChIKey is KQHYSFHFWMKDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-13-9-14(2)11-18(10-13)22-16(4)21(24)23-15(3)20-12-17-7-5-6-8-19(17)25-20/h5-12,15-16,22H,1-4H3,(H,23,24).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide has a molecular weight of 336.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide is sourced from PubChem (CID 112811052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).