N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide

C25H31N3O5 — CID 84566672

IUPACN-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
SMILESCCc1ccc(NC(C)=O)cc1NC(=O)CCN(C(=O)COc1ccccc1OC)C1CC1
InChIInChI=1S/C25H31N3O5/c1-4-18-9-10-19(26-17(2)29)15-21(18)27-24(30)13-14-28(20-11-12-20)25(31)16-33-23-8-6-5-7-22(23)32-3/h5-10,15,20H,4,11-14,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyPTTCNMUHNKGLPW-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.61
Rot. Bonds11

About N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide

N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide (PubChem CID 84566672) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
PubChem CID84566672
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC NameN-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
SMILESCCc1ccc(NC(C)=O)cc1NC(=O)CCN(C(=O)COc1ccccc1OC)C1CC1
InChIInChI=1S/C25H31N3O5/c1-4-18-9-10-19(26-17(2)29)15-21(18)27-24(30)13-14-28(20-11-12-20)25(31)16-33-23-8-6-5-7-22(23)32-3/h5-10,15,20H,4,11-14,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyPTTCNMUHNKGLPW-UHFFFAOYSA-N
XLogP3.61
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
CID 84565960
N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84565965
4-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoic acid
CID 84566625
5-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-hydroxybenzoic acid
CID 84566023
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate
CID 84566637
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 84566029
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 84566682
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-pentylpropanamide
CID 84565149
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide
CID 84565814
3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115445
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 84564048

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
The IUPAC name of N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide (CID 84566672) is N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide is CCc1ccc(NC(C)=O)cc1NC(=O)CCN(C(=O)COc1ccccc1OC)C1CC1.
What is the InChIKey of N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
The InChIKey is PTTCNMUHNKGLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-4-18-9-10-19(26-17(2)29)15-21(18)27-24(30)13-14-28(20-11-12-20)25(31)16-33-23-8-6-5-7-22(23)32-3/h5-10,15,20H,4,11-14,16H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide has a molecular weight of 453.54 g/mol, XLogP of 3.61, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 84566672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).