N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide

C16H27N3O2 — CID 82224746

IUPACN-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide
SMILESCCCCN(C)C(CC)C(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C16H27N3O2/c1-5-7-10-19(3)14(6-2)16(20)18-13-9-8-12(17)11-15(13)21-4/h8-9,11,14H,5-7,10,17H2,1-4H3,(H,18,20)
InChIKeyGUANFGPTTIVKFL-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.73
Rot. Bonds8

About N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide

N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide (PubChem CID 82224746) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide
PubChem CID82224746
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide
SMILESCCCCN(C)C(CC)C(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C16H27N3O2/c1-5-7-10-19(3)14(6-2)16(20)18-13-9-8-12(17)11-15(13)21-4/h8-9,11,14H,5-7,10,17H2,1-4H3,(H,18,20)
InChIKeyGUANFGPTTIVKFL-UHFFFAOYSA-N
XLogP2.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272523
N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide
CID 82224695
N-(4-amino-2-methoxyphenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
CID 81037444
N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 43271750
N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373847
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
CID 43186146
N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide
CID 107748558
N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295359
N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide
CID 103282970
N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66104221
N-(4-amino-2-methoxyphenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264583

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide (CID 82224746) is N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide is CCCCN(C)C(CC)C(=O)Nc1ccc(N)cc1OC.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide?
The InChIKey is GUANFGPTTIVKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-7-10-19(3)14(6-2)16(20)18-13-9-8-12(17)11-15(13)21-4/h8-9,11,14H,5-7,10,17H2,1-4H3,(H,18,20).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide?
N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide has a molecular weight of 293.41 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide is sourced from PubChem (CID 82224746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).