4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide

C15H24N2O3 — CID 103155037

IUPAC4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide
SMILESCOC(CN)CC(=O)N(C)CCOc1ccc(C)cc1
InChIInChI=1S/C15H24N2O3/c1-12-4-6-13(7-5-12)20-9-8-17(2)15(18)10-14(11-16)19-3/h4-7,14H,8-11,16H2,1-3H3
InChIKeyPNUJVWKGJQEGCY-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.20
Rot. Bonds8

About 4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide

4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide (PubChem CID 103155037) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide
PubChem CID103155037
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide
SMILESCOC(CN)CC(=O)N(C)CCOc1ccc(C)cc1
InChIInChI=1S/C15H24N2O3/c1-12-4-6-13(7-5-12)20-9-8-17(2)15(18)10-14(11-16)19-3/h4-7,14H,8-11,16H2,1-3H3
InChIKeyPNUJVWKGJQEGCY-UHFFFAOYSA-N
XLogP1.20
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120587503
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120587497
3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 64685287
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 119695381
3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide
CID 81075313
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 81172117
3-amino-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 106111938
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide (CID 103155037) is 4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide is COC(CN)CC(=O)N(C)CCOc1ccc(C)cc1.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide?
The InChIKey is PNUJVWKGJQEGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12-4-6-13(7-5-12)20-9-8-17(2)15(18)10-14(11-16)19-3/h4-7,14H,8-11,16H2,1-3H3.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide?
4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.20, 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-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide is sourced from PubChem (CID 103155037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).