4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide

C21H28N2O3 — CID 120593275

IUPAC4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide
SMILESCOc1ccccc1-c1ccc(C(C)N(C)C(=O)CC(CN)OC)cc1
InChIInChI=1S/C21H28N2O3/c1-15(23(2)21(24)13-18(14-22)25-3)16-9-11-17(12-10-16)19-7-5-6-8-20(19)26-4/h5-12,15,18H,13-14,22H2,1-4H3
InChIKeyFLAREFPPOAYPHB-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.25
Rot. Bonds8

About 4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide

4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide (PubChem CID 120593275) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide
PubChem CID120593275
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide
SMILESCOc1ccccc1-c1ccc(C(C)N(C)C(=O)CC(CN)OC)cc1
InChIInChI=1S/C21H28N2O3/c1-15(23(2)21(24)13-18(14-22)25-3)16-9-11-17(12-10-16)19-7-5-6-8-20(19)26-4/h5-12,15,18H,13-14,22H2,1-4H3
InChIKeyFLAREFPPOAYPHB-UHFFFAOYSA-N
XLogP3.25
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119802421
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119802438
2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride
CID 119334352
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
3-[1-[4-(2-methoxyphenyl)phenyl]ethyl-methylamino]-N-methylpropanamide
CID 71999792
2-amino-N-methyl-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 91645134
4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
CID 81087355
3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119802425
4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methoxy-N-methylbutanamide;dihydrochloride
CID 120594823
4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120593768
4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride
CID 120597190
3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 70029206

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide?
The IUPAC name of 4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide (CID 120593275) is 4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide is COc1ccccc1-c1ccc(C(C)N(C)C(=O)CC(CN)OC)cc1.
What is the InChIKey of 4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide?
The InChIKey is FLAREFPPOAYPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15(23(2)21(24)13-18(14-22)25-3)16-9-11-17(12-10-16)19-7-5-6-8-20(19)26-4/h5-12,15,18H,13-14,22H2,1-4H3.
What are the key properties of 4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide?
4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide has a molecular weight of 356.47 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide is sourced from PubChem (CID 120593275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).