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

C22H29N3O4 — CID 119712627

IUPAC3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
SMILESCCNC(=O)COc1ccc(CNC(=O)C(C)C(N)c2ccccc2)cc1OC
InChIInChI=1S/C22H29N3O4/c1-4-24-20(26)14-29-18-11-10-16(12-19(18)28-3)13-25-22(27)15(2)21(23)17-8-6-5-7-9-17/h5-12,15,21H,4,13-14,23H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyOCAXUVPEERSJAX-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.16
Rot. Bonds10

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

3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide (PubChem CID 119712627) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
PubChem CID119712627
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
SMILESCCNC(=O)COc1ccc(CNC(=O)C(C)C(N)c2ccccc2)cc1OC
InChIInChI=1S/C22H29N3O4/c1-4-24-20(26)14-29-18-11-10-16(12-19(18)28-3)13-25-22(27)15(2)21(23)17-8-6-5-7-9-17/h5-12,15,21H,4,13-14,23H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyOCAXUVPEERSJAX-UHFFFAOYSA-N
XLogP2.16
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
CID 119949555
3-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119858619
N-ethyl-2-[2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenoxy]acetamide
CID 86908275
benzyl N-[(2S)-1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55940762
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 30120639
2-[4-[[[cyclobutyl(phenyl)methyl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 119122063
tert-butyl N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 55964120
N-ethyl-2-[2-methoxy-4-[[[(2R)-pentan-2-yl]amino]methyl]phenoxy]acetamide
CID 95901020
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 55781233

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide (CID 119712627) is 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide is CCNC(=O)COc1ccc(CNC(=O)C(C)C(N)c2ccccc2)cc1OC.
What is the InChIKey of 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide?
The InChIKey is OCAXUVPEERSJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-4-24-20(26)14-29-18-11-10-16(12-19(18)28-3)13-25-22(27)15(2)21(23)17-8-6-5-7-9-17/h5-12,15,21H,4,13-14,23H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide has a molecular weight of 399.49 g/mol, XLogP of 2.16, 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]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119712627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).