N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide

C15H23N3O2 — CID 82733294

IUPACN-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)N(C)C1CCOC1
InChIInChI=1S/C15H23N3O2/c1-10-13(16)5-4-6-14(10)17-15(19)11(2)18(3)12-7-8-20-9-12/h4-6,11-12H,7-9,16H2,1-3H3,(H,17,19)
InChIKeyHKGZCOUBUFBNGR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.62
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide

N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide (PubChem CID 82733294) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide
PubChem CID82733294
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)N(C)C1CCOC1
InChIInChI=1S/C15H23N3O2/c1-10-13(16)5-4-6-14(10)17-15(19)11(2)18(3)12-7-8-20-9-12/h4-6,11-12H,7-9,16H2,1-3H3,(H,17,19)
InChIKeyHKGZCOUBUFBNGR-UHFFFAOYSA-N
XLogP1.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.62
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-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide
CID 43296275
N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732862
N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide
CID 43610700
N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide
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N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
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2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol
CID 107712028
N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62546374
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264543
N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544182
N-(2-aminophenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568725
1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one
CID 82742632

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide (CID 82733294) is N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide is Cc1c(N)cccc1NC(=O)C(C)N(C)C1CCOC1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide?
The InChIKey is HKGZCOUBUFBNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-13(16)5-4-6-14(10)17-15(19)11(2)18(3)12-7-8-20-9-12/h4-6,11-12H,7-9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide?
N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide is sourced from PubChem (CID 82733294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).