N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide

C17H28N2O3 — CID 54814780

IUPACN-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide
SMILESCCCCCCCNCC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C17H28N2O3/c1-4-5-6-7-8-11-18-13-17(20)19-15-12-14(21-2)9-10-16(15)22-3/h9-10,12,18H,4-8,11,13H2,1-3H3,(H,19,20)
InChIKeyUVSAYZRVPGQTTF-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.20
Rot. Bonds11

About N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide

N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide (PubChem CID 54814780) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide
PubChem CID54814780
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide
SMILESCCCCCCCNCC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C17H28N2O3/c1-4-5-6-7-8-11-18-13-17(20)19-15-12-14(21-2)9-10-16(15)22-3/h9-10,12,18H,4-8,11,13H2,1-3H3,(H,19,20)
InChIKeyUVSAYZRVPGQTTF-UHFFFAOYSA-N
XLogP3.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994518
2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691
2-(2,5-dimethoxyanilino)-N-hexadecylacetamide
CID 54814998
N-(2,5-dimethoxyphenyl)-4-(ethylamino)butanamide
CID 67149586
N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 109002869
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide (CID 54814780) is N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide is CCCCCCCNCC(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide?
The InChIKey is UVSAYZRVPGQTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-4-5-6-7-8-11-18-13-17(20)19-15-12-14(21-2)9-10-16(15)22-3/h9-10,12,18H,4-8,11,13H2,1-3H3,(H,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide?
N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide has a molecular weight of 308.42 g/mol, XLogP of 3.20, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide is sourced from PubChem (CID 54814780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).