N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide

C15H24N2O3 — CID 62839712

IUPACN-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H24N2O3/c1-6-16-11(3)8-15(18)17-12-9-14(20-5)13(19-4)7-10(12)2/h7,9,11,16H,6,8H2,1-5H3,(H,17,18)
InChIKeyPDINPDQMVSXFTF-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.34
Rot. Bonds7

About N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide

N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide (PubChem CID 62839712) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide
PubChem CID62839712
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H24N2O3/c1-6-16-11(3)8-15(18)17-12-9-14(20-5)13(19-4)7-10(12)2/h7,9,11,16H,6,8H2,1-5H3,(H,17,18)
InChIKeyPDINPDQMVSXFTF-UHFFFAOYSA-N
XLogP2.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663376
N-(2,5-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663324
N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62837174
ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate
CID 28538834
5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
CID 82012097
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224
N-(4,5-dimethoxy-2-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7751153
(2S)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)butanamide
CID 79024477
methyl 2-[3-(ethylamino)butanoylamino]benzoate
CID 62838261
methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate
CID 62838643
(4,5-dimethoxy-2-methylphenyl)urea
CID 82492626
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838138

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide (CID 62839712) is N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1cc(OC)c(OC)cc1C.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide?
The InChIKey is PDINPDQMVSXFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-6-16-11(3)8-15(18)17-12-9-14(20-5)13(19-4)7-10(12)2/h7,9,11,16H,6,8H2,1-5H3,(H,17,18).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide?
N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide has a molecular weight of 280.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide is sourced from PubChem (CID 62839712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).