N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide

C24H30N2O5 — CID 84561908

IUPACN-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)N(CCO)Cc1ccccc1)C1CC1
InChIInChI=1S/C24H30N2O5/c1-30-21-9-5-6-10-22(21)31-18-24(29)26(20-11-12-20)14-13-23(28)25(15-16-27)17-19-7-3-2-4-8-19/h2-10,20,27H,11-18H2,1H3
InChIKeyQRRVRJHTOZSFPI-UHFFFAOYSA-N
MW426.51 g/mol
LogP2.48
Rot. Bonds12

About N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide

N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide (PubChem CID 84561908) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide
PubChem CID84561908
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)N(CCO)Cc1ccccc1)C1CC1
InChIInChI=1S/C24H30N2O5/c1-30-21-9-5-6-10-22(21)31-18-24(29)26(20-11-12-20)14-13-23(28)25(15-16-27)17-19-7-3-2-4-8-19/h2-10,20,27H,11-18H2,1H3
InChIKeyQRRVRJHTOZSFPI-UHFFFAOYSA-N
XLogP2.48
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide
CID 84561868
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84561909
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide
CID 84561869
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate
CID 84561912
N-benzyl-N-(2-hydroxyethyl)-2-(2-phenylphenoxy)acetamide
CID 78796373
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
N-cyclopropyl-N-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-2-(2-methoxyphenoxy)acetamide
CID 84561918
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide
CID 84565814
2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid
CID 84565799
4-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoic acid
CID 84566625

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide (CID 84561908) is N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide is COc1ccccc1OCC(=O)N(CCC(=O)N(CCO)Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide?
The InChIKey is QRRVRJHTOZSFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-30-21-9-5-6-10-22(21)31-18-24(29)26(20-11-12-20)14-13-23(28)25(15-16-27)17-19-7-3-2-4-8-19/h2-10,20,27H,11-18H2,1H3.
What are the key properties of N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide?
N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide has a molecular weight of 426.51 g/mol, XLogP of 2.48, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 84561908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).