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

C15H23N3O2 — CID 82732862

IUPACN-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide
SMILESCc1c(N)cccc1NC(=O)CCN(C)C1CCOC1
InChIInChI=1S/C15H23N3O2/c1-11-13(16)4-3-5-14(11)17-15(19)6-8-18(2)12-7-9-20-10-12/h3-5,12H,6-10,16H2,1-2H3,(H,17,19)
InChIKeyFZPVDMYROOVKFO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.63
Rot. Bonds5

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

N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide (PubChem CID 82732862) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide
PubChem CID82732862
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide
SMILESCc1c(N)cccc1NC(=O)CCN(C)C1CCOC1
InChIInChI=1S/C15H23N3O2/c1-11-13(16)4-3-5-14(11)17-15(19)6-8-18(2)12-7-9-20-10-12/h3-5,12H,6-10,16H2,1-2H3,(H,17,19)
InChIKeyFZPVDMYROOVKFO-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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)-3-(dimethylamino)propanamide
CID 16792974
N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide
CID 82733294
N-(3-amino-2-methylphenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263763
N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide
CID 43540741
N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732203
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide
CID 82732033
N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 63725564
N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide
CID 43568706
N-(2-amino-4-methylphenyl)-2-[methyl(oxolan-3-yl)amino]acetamide
CID 82733453
N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985430
N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82732171

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide (CID 82732862) is N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide is Cc1c(N)cccc1NC(=O)CCN(C)C1CCOC1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide?
The InChIKey is FZPVDMYROOVKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-13(16)4-3-5-14(11)17-15(19)6-8-18(2)12-7-9-20-10-12/h3-5,12H,6-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide?
N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.63, 5 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)-3-[methyl(oxolan-3-yl)amino]propanamide is sourced from PubChem (CID 82732862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).