N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide

C15H24N2O3 — CID 62839774

IUPACN-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NCc1cc(OC)ccc1OC
InChIInChI=1S/C15H24N2O3/c1-5-16-11(2)8-15(18)17-10-12-9-13(19-3)6-7-14(12)20-4/h6-7,9,11,16H,5,8,10H2,1-4H3,(H,17,18)
InChIKeyJPUDCKLJMIRWAP-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.71
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide

N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide (PubChem CID 62839774) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide
PubChem CID62839774
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NCc1cc(OC)ccc1OC
InChIInChI=1S/C15H24N2O3/c1-5-16-11(2)8-15(18)17-10-12-9-13(19-3)6-7-14(12)20-4/h6-7,9,11,16H,5,8,10H2,1-4H3,(H,17,18)
InChIKeyJPUDCKLJMIRWAP-UHFFFAOYSA-N
XLogP1.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663324
3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650953
N-(2,4-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663376
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
(2R)-2-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 51690896
3-(ethylamino)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 62838416
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
2-(2,5-dimethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78823018
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110784111

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide (CID 62839774) is N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide is CCNC(C)CC(=O)NCc1cc(OC)ccc1OC.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide?
The InChIKey is JPUDCKLJMIRWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-16-11(2)8-15(18)17-10-12-9-13(19-3)6-7-14(12)20-4/h6-7,9,11,16H,5,8,10H2,1-4H3,(H,17,18).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide?
N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide is sourced from PubChem (CID 62839774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).