N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide

C23H36N2O4 — CID 84561909

IUPACN,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
SMILESCCCCN(CCCC)C(=O)CCN(C(=O)COc1ccccc1OC)C1CC1
InChIInChI=1S/C23H36N2O4/c1-4-6-15-24(16-7-5-2)22(26)14-17-25(19-12-13-19)23(27)18-29-21-11-9-8-10-20(21)28-3/h8-11,19H,4-7,12-18H2,1-3H3
InChIKeyUUJZPTZZOWOGPZ-UHFFFAOYSA-N
MW404.55 g/mol
LogP3.88
Rot. Bonds14

About N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide

N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide (PubChem CID 84561909) has the molecular formula C23H36N2O4 and a molecular weight of 404.55 g/mol. Its IUPAC name is N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
PubChem CID84561909
Molecular FormulaC23H36N2O4
Molecular Weight404.55 g/mol
Exact Mass404.27
IUPAC NameN,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
SMILESCCCCN(CCCC)C(=O)CCN(C(=O)COc1ccccc1OC)C1CC1
InChIInChI=1S/C23H36N2O4/c1-4-6-15-24(16-7-5-2)22(26)14-17-25(19-12-13-19)23(27)18-29-21-11-9-8-10-20(21)28-3/h8-11,19H,4-7,12-18H2,1-3H3
InChIKeyUUJZPTZZOWOGPZ-UHFFFAOYSA-N
XLogP3.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-pentylpropanamide
CID 84565149
N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide
CID 84561908
ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate
CID 84561912
2-(2-aminophenoxy)-N-butyl-N-cyclopropylacetamide
CID 61106387
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-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
CID 84565960
1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide
CID 84565797
2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid
CID 84565799

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
The IUPAC name of N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide (CID 84561909) is N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
The canonical SMILES for N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide is CCCCN(CCCC)C(=O)CCN(C(=O)COc1ccccc1OC)C1CC1.
What is the InChIKey of N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
The InChIKey is UUJZPTZZOWOGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4/c1-4-6-15-24(16-7-5-2)22(26)14-17-25(19-12-13-19)23(27)18-29-21-11-9-8-10-20(21)28-3/h8-11,19H,4-7,12-18H2,1-3H3.
What are the key properties of N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide has a molecular weight of 404.55 g/mol, XLogP of 3.88, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 84561909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).