N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide

C18H22N2O2 — CID 16793312

IUPACN-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2cccc(CN)c2)c1C
InChIInChI=1S/C18H22N2O2/c1-12-6-4-9-17(13(12)2)22-14(3)18(21)20-16-8-5-7-15(10-16)11-19/h4-10,14H,11,19H2,1-3H3,(H,20,21)
InChIKeyAFWMARVEZBCKAO-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.17
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide

N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 16793312) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
PubChem CID16793312
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2cccc(CN)c2)c1C
InChIInChI=1S/C18H22N2O2/c1-12-6-4-9-17(13(12)2)22-14(3)18(21)20-16-8-5-7-15(10-16)11-19/h4-10,14H,11,19H2,1-3H3,(H,20,21)
InChIKeyAFWMARVEZBCKAO-UHFFFAOYSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 38013113
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
ethyl 2-chloro-5-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzoate
CID 30400702
N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43905153
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
dimethyl 5-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzene-1,3-dicarboxylate
CID 28982159
2-(2,3-dimethylphenoxy)-N-pyridin-3-ylpropanamide
CID 43875980
(2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 28957353
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 28631237
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide (CID 16793312) is N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)Nc2cccc(CN)c2)c1C.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is AFWMARVEZBCKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-6-4-9-17(13(12)2)22-14(3)18(21)20-16-8-5-7-15(10-16)11-19/h4-10,14H,11,19H2,1-3H3,(H,20,21).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide?
N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 16793312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).