3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide

C21H28N2O2 — CID 119721382

IUPAC3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
SMILESCCOc1ccccc1C(CC)NC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-4-18(17-13-9-10-14-19(17)25-5-2)23-21(24)15(3)20(22)16-11-7-6-8-12-16/h6-15,18,20H,4-5,22H2,1-3H3,(H,23,24)
InChIKeyMXQWBWGIELTWCH-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.99
Rot. Bonds8

About 3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide

3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide (PubChem CID 119721382) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
PubChem CID119721382
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
SMILESCCOc1ccccc1C(CC)NC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-4-18(17-13-9-10-14-19(17)25-5-2)23-21(24)15(3)20(22)16-11-7-6-8-12-16/h6-15,18,20H,4-5,22H2,1-3H3,(H,23,24)
InChIKeyMXQWBWGIELTWCH-UHFFFAOYSA-N
XLogP3.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119796287
3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119689348
3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884889
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706806
3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide
CID 119836141
(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
CID 103928736
3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119816495
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide (CID 119721382) is 3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide is CCOc1ccccc1C(CC)NC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide?
The InChIKey is MXQWBWGIELTWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-18(17-13-9-10-14-19(17)25-5-2)23-21(24)15(3)20(22)16-11-7-6-8-12-16/h6-15,18,20H,4-5,22H2,1-3H3,(H,23,24).
What are the key properties of 3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide has a molecular weight of 340.47 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119721382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).