4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide

C18H23N3O4 — CID 120595348

IUPAC4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide
SMILESCOc1ccc(NC(=O)CC(CN)OC)cc1OCc1cccnc1
InChIInChI=1S/C18H23N3O4/c1-23-15(10-19)9-18(22)21-14-5-6-16(24-2)17(8-14)25-12-13-4-3-7-20-11-13/h3-8,11,15H,9-10,12,19H2,1-2H3,(H,21,22)
InChIKeyQYORDVARCPVYQY-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.97
Rot. Bonds9

About 4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide

4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide (PubChem CID 120595348) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide
PubChem CID120595348
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide
SMILESCOc1ccc(NC(=O)CC(CN)OC)cc1OCc1cccnc1
InChIInChI=1S/C18H23N3O4/c1-23-15(10-19)9-18(22)21-14-5-6-16(24-2)17(8-14)25-12-13-4-3-7-20-11-13/h3-8,11,15H,9-10,12,19H2,1-2H3,(H,21,22)
InChIKeyQYORDVARCPVYQY-UHFFFAOYSA-N
XLogP1.97
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
CID 42958626
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 43069801
3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
CID 43069846
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide
CID 55645199
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(phenylcarbamoylamino)propanamide
CID 55683457
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 38627862
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43069771
(2R)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 38625488
2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 55643410
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38627115

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide (CID 120595348) is 4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide is COc1ccc(NC(=O)CC(CN)OC)cc1OCc1cccnc1.
What is the InChIKey of 4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide?
The InChIKey is QYORDVARCPVYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-23-15(10-19)9-18(22)21-14-5-6-16(24-2)17(8-14)25-12-13-4-3-7-20-11-13/h3-8,11,15H,9-10,12,19H2,1-2H3,(H,21,22).
What are the key properties of 4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide?
4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide has a molecular weight of 345.40 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 120595348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).