N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide

C22H23N3O4 — CID 166206465

IUPACN-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide
SMILESCCNC(=O)CC(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C22H23N3O4/c1-3-23-21(26)13-22(27)25-16-10-11-19(28-2)20(12-16)29-14-17-9-8-15-6-4-5-7-18(15)24-17/h4-12H,3,13-14H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyYWUYXALCUZJVPQ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.29
Rot. Bonds8

About N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide

N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide (PubChem CID 166206465) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide.

Molecular Properties

Compound NameN-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide
PubChem CID166206465
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide
SMILESCCNC(=O)CC(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C22H23N3O4/c1-3-23-21(26)13-22(27)25-16-10-11-19(28-2)20(12-16)29-14-17-9-8-15-6-4-5-7-18(15)24-17/h4-12H,3,13-14H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyYWUYXALCUZJVPQ-UHFFFAOYSA-N
XLogP3.29
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 86964994
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol
CID 70388723
N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755135
N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763592
N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 38629448
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944261
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide?
The IUPAC name of N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide (CID 166206465) is N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide.
What is the SMILES notation for N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide?
The canonical SMILES for N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide is CCNC(=O)CC(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide?
The InChIKey is YWUYXALCUZJVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-23-21(26)13-22(27)25-16-10-11-19(28-2)20(12-16)29-14-17-9-8-15-6-4-5-7-18(15)24-17/h4-12H,3,13-14H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide?
N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide has a molecular weight of 393.44 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide is sourced from PubChem (CID 166206465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).