N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide

C16H27N3O2 — CID 43295359

IUPACN-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(C)CCC(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C16H27N3O2/c1-5-12(2)11-19(3)9-8-16(20)18-14-7-6-13(17)10-15(14)21-4/h6-7,10,12H,5,8-9,11,17H2,1-4H3,(H,18,20)
InChIKeySXJRXGJKJKXGRV-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.58
Rot. Bonds8

About N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide

N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide (PubChem CID 43295359) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide
PubChem CID43295359
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(C)CCC(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C16H27N3O2/c1-5-12(2)11-19(3)9-8-16(20)18-14-7-6-13(17)10-15(14)21-4/h6-7,10,12H,5,8-9,11,17H2,1-4H3,(H,18,20)
InChIKeySXJRXGJKJKXGRV-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide
CID 79481491
N-(4-amino-2-methoxyphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61427454
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60886583
N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295387
N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982174
N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984755
N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide
CID 66103319
N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 43271750
N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide
CID 61304446
N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
CID 43271733

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide (CID 43295359) is N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide is CCC(C)CN(C)CCC(=O)Nc1ccc(N)cc1OC.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide?
The InChIKey is SXJRXGJKJKXGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-12(2)11-19(3)9-8-16(20)18-14-7-6-13(17)10-15(14)21-4/h6-7,10,12H,5,8-9,11,17H2,1-4H3,(H,18,20).
What are the key properties of N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide?
N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.58, 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)-3-[methyl(2-methylbutyl)amino]propanamide is sourced from PubChem (CID 43295359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).