N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide

C18H22N2O3 — CID 119418954

IUPACN-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-22-15-9-6-13(7-10-15)4-3-5-18(21)20-14-8-11-17(23-2)16(19)12-14/h6-12H,3-5,19H2,1-2H3,(H,20,21)
InChIKeyZKUVAOOAAFOTSX-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.25
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide

N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide (PubChem CID 119418954) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
PubChem CID119418954
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-22-15-9-6-13(7-10-15)4-3-5-18(21)20-14-8-11-17(23-2)16(19)12-14/h6-12H,3-5,19H2,1-2H3,(H,20,21)
InChIKeyZKUVAOOAAFOTSX-UHFFFAOYSA-N
XLogP3.25
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide
CID 119419441
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
CID 119419096
N-(3-amino-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119420511
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
N-(3-hydroxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 122135780
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 119419435
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide (CID 119418954) is N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide is COc1ccc(CCCC(=O)Nc2ccc(OC)c(N)c2)cc1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide?
The InChIKey is ZKUVAOOAAFOTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-15-9-6-13(7-10-15)4-3-5-18(21)20-14-8-11-17(23-2)16(19)12-14/h6-12H,3-5,19H2,1-2H3,(H,20,21).
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide?
N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide has a molecular weight of 314.39 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 119418954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).