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

C16H27N3O2 — CID 43569639

IUPACN-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C)C(C)C(C)C)c(N)c1
InChIInChI=1S/C16H27N3O2/c1-10(2)11(3)19(5)12(4)16(20)18-15-8-7-13(21-6)9-14(15)17/h7-12H,17H2,1-6H3,(H,18,20)
InChIKeyXJUCEJDQNLPBMO-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.58
Rot. Bonds6

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

N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide (PubChem CID 43569639) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide
PubChem CID43569639
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C)C(C)C(C)C)c(N)c1
InChIInChI=1S/C16H27N3O2/c1-10(2)11(3)19(5)12(4)16(20)18-15-8-7-13(21-6)9-14(15)17/h7-12H,17H2,1-6H3,(H,18,20)
InChIKeyXJUCEJDQNLPBMO-UHFFFAOYSA-N
XLogP2.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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)-2-(diethylamino)propanamide
CID 16779414
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569669
N-(2-amino-4-methoxyphenyl)-2-[ethyl(2-methoxyethyl)amino]propanamide
CID 61444389
N-(2-amino-4-methoxyphenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63954097
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005336
N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide
CID 61286623
2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 113305134
N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16786257
N-(2-amino-4-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)propanamide
CID 79683036
1-(2-amino-4-methoxyphenyl)-3-propylurea
CID 28785607

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide (CID 43569639) is N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide is COc1ccc(NC(=O)C(C)N(C)C(C)C(C)C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide?
The InChIKey is XJUCEJDQNLPBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-10(2)11(3)19(5)12(4)16(20)18-15-8-7-13(21-6)9-14(15)17/h7-12H,17H2,1-6H3,(H,18,20).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide?
N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.58, 6 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)-2-[methyl(3-methylbutan-2-yl)amino]propanamide is sourced from PubChem (CID 43569639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).