N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide

C21H24N2O2 — CID 120885666

IUPACN-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide
SMILESNCCN(CCc1ccccc1)C(=O)CCc1cc2ccccc2o1
InChIInChI=1S/C21H24N2O2/c22-13-15-23(14-12-17-6-2-1-3-7-17)21(24)11-10-19-16-18-8-4-5-9-20(18)25-19/h1-9,16H,10-15,22H2
InChIKeyUKEFWTUCBSQAHP-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.40
Rot. Bonds8

About N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide

N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide (PubChem CID 120885666) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide
PubChem CID120885666
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide
SMILESNCCN(CCc1ccccc1)C(=O)CCc1cc2ccccc2o1
InChIInChI=1S/C21H24N2O2/c22-13-15-23(14-12-17-6-2-1-3-7-17)21(24)11-10-19-16-18-8-4-5-9-20(18)25-19/h1-9,16H,10-15,22H2
InChIKeyUKEFWTUCBSQAHP-UHFFFAOYSA-N
XLogP3.40
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886931
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886615
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 42796265
N-(2-aminoethyl)-3-cyclopropyl-N-(2-phenylethyl)propanamide
CID 120886734
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886319
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide
CID 120885522

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide (CID 120885666) is N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide is NCCN(CCc1ccccc1)C(=O)CCc1cc2ccccc2o1.
What is the InChIKey of N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is UKEFWTUCBSQAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c22-13-15-23(14-12-17-6-2-1-3-7-17)21(24)11-10-19-16-18-8-4-5-9-20(18)25-19/h1-9,16H,10-15,22H2.
What are the key properties of N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide?
N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 336.44 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 120885666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).