N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide

C15H23N3O2 — CID 82732171

IUPACN-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
SMILESCC1OCCC1N(C)CCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H23N3O2/c1-11-14(8-10-20-11)18(2)9-7-15(19)17-13-6-4-3-5-12(13)16/h3-6,11,14H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyXXGBVZUMCKSSLF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.71
Rot. Bonds5

About N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide

N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide (PubChem CID 82732171) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
PubChem CID82732171
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
SMILESCC1OCCC1N(C)CCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H23N3O2/c1-11-14(8-10-20-11)18(2)9-7-15(19)17-13-6-4-3-5-12(13)16/h3-6,11,14H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyXXGBVZUMCKSSLF-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.71
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-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 63725564
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide
CID 82732986
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide
CID 43627652
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
4-[methyl-(2-methyloxolan-3-yl)amino]butanehydrazide
CID 82753689
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644
N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
CID 43570657
N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732862
N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 114948159
N-(2-aminophenyl)-N',N'-dipropylbutanediamide
CID 119421937

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide?
The IUPAC name of N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide (CID 82732171) is N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide is CC1OCCC1N(C)CCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide?
The InChIKey is XXGBVZUMCKSSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-14(8-10-20-11)18(2)9-7-15(19)17-13-6-4-3-5-12(13)16/h3-6,11,14H,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide?
N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide is sourced from PubChem (CID 82732171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).