3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide

C21H27N3O4 — CID 119949555

IUPAC3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
SMILESCCNC(=O)COc1ccc(CNC(=O)CC(N)c2ccccc2)cc1OC
InChIInChI=1S/C21H27N3O4/c1-3-23-21(26)14-28-18-10-9-15(11-19(18)27-2)13-24-20(25)12-17(22)16-7-5-4-6-8-16/h4-11,17H,3,12-14,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyNTHXVIYWGKHHGF-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.92
Rot. Bonds10

About 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide

3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide (PubChem CID 119949555) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
PubChem CID119949555
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
SMILESCCNC(=O)COc1ccc(CNC(=O)CC(N)c2ccccc2)cc1OC
InChIInChI=1S/C21H27N3O4/c1-3-23-21(26)14-28-18-10-9-15(11-19(18)27-2)13-24-20(25)12-17(22)16-7-5-4-6-8-16/h4-11,17H,3,12-14,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyNTHXVIYWGKHHGF-UHFFFAOYSA-N
XLogP1.92
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119712627
N-ethyl-2-[2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenoxy]acetamide
CID 86908275
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 55781233
2-[4-[[[cyclobutyl(phenyl)methyl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 119122063
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,2-diphenylacetate
CID 2520755
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948782
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
benzyl N-[(2S)-1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55940762
ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 55745890
3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
CID 119734347

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide (CID 119949555) is 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide is CCNC(=O)COc1ccc(CNC(=O)CC(N)c2ccccc2)cc1OC.
What is the InChIKey of 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide?
The InChIKey is NTHXVIYWGKHHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-3-23-21(26)14-28-18-10-9-15(11-19(18)27-2)13-24-20(25)12-17(22)16-7-5-4-6-8-16/h4-11,17H,3,12-14,22H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide?
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide has a molecular weight of 385.46 g/mol, XLogP of 1.92, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 119949555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).