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

C16H27N3O2 — CID 43569669

IUPACN-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
SMILESCOc1ccc(NC(=O)CCN(C)C(C)C(C)C)c(N)c1
InChIInChI=1S/C16H27N3O2/c1-11(2)12(3)19(4)9-8-16(20)18-15-7-6-13(21-5)10-14(15)17/h6-7,10-12H,8-9,17H2,1-5H3,(H,18,20)
InChIKeyUXNAGBCWNMQAAK-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.58
Rot. Bonds7

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

N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide (PubChem CID 43569669) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
PubChem CID43569669
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
SMILESCOc1ccc(NC(=O)CCN(C)C(C)C(C)C)c(N)c1
InChIInChI=1S/C16H27N3O2/c1-11(2)12(3)19(4)9-8-16(20)18-15-7-6-13(21-5)10-14(15)17/h6-7,10-12H,8-9,17H2,1-5H3,(H,18,20)
InChIKeyUXNAGBCWNMQAAK-UHFFFAOYSA-N
XLogP2.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272559
N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884521
N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569678
N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569639
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(2-amino-4-methoxyphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568691
N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879538
N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide
CID 18071109
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985312
N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide
CID 43296316
N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66276928

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide (CID 43569669) is N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide is COc1ccc(NC(=O)CCN(C)C(C)C(C)C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide?
The InChIKey is UXNAGBCWNMQAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)12(3)19(4)9-8-16(20)18-15-7-6-13(21-5)10-14(15)17/h6-7,10-12H,8-9,17H2,1-5H3,(H,18,20).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide?
N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide is sourced from PubChem (CID 43569669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).