2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide

C18H29N3O4 — CID 45354959

IUPAC2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)CN(C)CCOc1ccc(OC)cc1
InChIInChI=1S/C18H29N3O4/c1-5-10-19-18(23)14(2)20-17(22)13-21(3)11-12-25-16-8-6-15(24-4)7-9-16/h6-9,14H,5,10-13H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyURLKVDHERHURHY-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.04
Rot. Bonds11

About 2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide

2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide (PubChem CID 45354959) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide
PubChem CID45354959
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)CN(C)CCOc1ccc(OC)cc1
InChIInChI=1S/C18H29N3O4/c1-5-10-19-18(23)14(2)20-17(22)13-21(3)11-12-25-16-8-6-15(24-4)7-9-16/h6-9,14H,5,10-13H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyURLKVDHERHURHY-UHFFFAOYSA-N
XLogP1.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide
CID 61450185
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 47007435
(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium
CID 8793440
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 46614542
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide
CID 113165945
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 27075867
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
CID 60654331
N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8754959
4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 8733342
(2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide
CID 8594468
1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea
CID 86921178
(2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide
CID 94812564

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide (CID 45354959) is 2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)CN(C)CCOc1ccc(OC)cc1.
What is the InChIKey of 2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide?
The InChIKey is URLKVDHERHURHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-5-10-19-18(23)14(2)20-17(22)13-21(3)11-12-25-16-8-6-15(24-4)7-9-16/h6-9,14H,5,10-13H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of 2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide?
2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 1.04, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 45354959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).