4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide

C18H22N2O3 — CID 119322066

IUPAC4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide
SMILESCOc1ccccc1Oc1ccc(CNC(=O)CCCN)cc1
InChIInChI=1S/C18H22N2O3/c1-22-16-5-2-3-6-17(16)23-15-10-8-14(9-11-15)13-20-18(21)7-4-12-19/h2-3,5-6,8-11H,4,7,12-13,19H2,1H3,(H,20,21)
InChIKeyMEUDYPGWMOUHHG-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.84
Rot. Bonds8

About 4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide

4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide (PubChem CID 119322066) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide
PubChem CID119322066
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide
SMILESCOc1ccccc1Oc1ccc(CNC(=O)CCCN)cc1
InChIInChI=1S/C18H22N2O3/c1-22-16-5-2-3-6-17(16)23-15-10-8-14(9-11-15)13-20-18(21)7-4-12-19/h2-3,5-6,8-11H,4,7,12-13,19H2,1H3,(H,20,21)
InChIKeyMEUDYPGWMOUHHG-UHFFFAOYSA-N
XLogP2.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride
CID 119725132
2-(2-methoxyethylamino)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide
CID 119780942
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
2-(2-methoxyethylamino)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide;hydrochloride
CID 119780941
4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide
CID 119877301
4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119337512
2-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pentanamide
CID 119322060
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
2-[4-(2-methoxyphenoxy)phenyl]ethanamine
CID 20986924
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide
CID 119780926
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide (CID 119322066) is 4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide is COc1ccccc1Oc1ccc(CNC(=O)CCCN)cc1.
What is the InChIKey of 4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide?
The InChIKey is MEUDYPGWMOUHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-16-5-2-3-6-17(16)23-15-10-8-14(9-11-15)13-20-18(21)7-4-12-19/h2-3,5-6,8-11H,4,7,12-13,19H2,1H3,(H,20,21).
What are the key properties of 4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide?
4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide has a molecular weight of 314.39 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 119322066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).