3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide

C13H20N2O3 — CID 34740045

IUPAC3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
SMILESCOCCN(CCC(N)=O)c1ccc(OC)cc1
InChIInChI=1S/C13H20N2O3/c1-17-10-9-15(8-7-13(14)16)11-3-5-12(18-2)6-4-11/h3-6H,7-10H2,1-2H3,(H2,14,16)
InChIKeyUKHPPVPWWZAZQT-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.02
Rot. Bonds8

About 3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide

3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide (PubChem CID 34740045) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide.

Molecular Properties

Compound Name3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
PubChem CID34740045
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
SMILESCOCCN(CCC(N)=O)c1ccc(OC)cc1
InChIInChI=1S/C13H20N2O3/c1-17-10-9-15(8-7-13(14)16)11-3-5-12(18-2)6-4-11/h3-6H,7-10H2,1-2H3,(H2,14,16)
InChIKeyUKHPPVPWWZAZQT-UHFFFAOYSA-N
XLogP1.02
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
CID 16576300
3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide
CID 16576333
3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide
CID 18124700
3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
CID 24561175
carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
CID 71435780
3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24561184
3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18124684
[4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane
CID 91153786
N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline
CID 134547003
3-[N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-methoxyanilino]propanamide
CID 16576313
3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide
CID 18131479
3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide
CID 17430264

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide?
The IUPAC name of 3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide (CID 34740045) is 3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide.
What is the SMILES notation for 3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide?
The canonical SMILES for 3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide is COCCN(CCC(N)=O)c1ccc(OC)cc1.
What is the InChIKey of 3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide?
The InChIKey is UKHPPVPWWZAZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-17-10-9-15(8-7-13(14)16)11-3-5-12(18-2)6-4-11/h3-6H,7-10H2,1-2H3,(H2,14,16).
What are the key properties of 3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide?
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide has a molecular weight of 252.31 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide is sourced from PubChem (CID 34740045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).