N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide

C15H24N2O2 — CID 63056226

IUPACN-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide
SMILESCNC(=O)C(C)Oc1cccc(CNCC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)9-17-10-13-6-5-7-14(8-13)19-12(3)15(18)16-4/h5-8,11-12,17H,9-10H2,1-4H3,(H,16,18)
InChIKeyKUONXLFSJQJMCZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.95
Rot. Bonds7

About N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide

N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide (PubChem CID 63056226) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide.

Molecular Properties

Compound NameN-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide
PubChem CID63056226
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide
SMILESCNC(=O)C(C)Oc1cccc(CNCC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)9-17-10-13-6-5-7-14(8-13)19-12(3)15(18)16-4/h5-8,11-12,17H,9-10H2,1-4H3,(H,16,18)
InChIKeyKUONXLFSJQJMCZ-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 63058381
2-[3-[(2-methylpropylamino)methyl]phenoxy]acetic acid
CID 102535865
2-[2,6-difluoro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 79883879
2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 107743993
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754
2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890981
2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 43278240
2-[3-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115863
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 114319962
N-methyl-2-phenoxypropanamide
CID 4626974
[3-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate
CID 3321893
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The IUPAC name of N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide (CID 63056226) is N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The canonical SMILES for N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide is CNC(=O)C(C)Oc1cccc(CNCC(C)C)c1.
What is the InChIKey of N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The InChIKey is KUONXLFSJQJMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)9-17-10-13-6-5-7-14(8-13)19-12(3)15(18)16-4/h5-8,11-12,17H,9-10H2,1-4H3,(H,16,18).
What are the key properties of N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide?
N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide is sourced from PubChem (CID 63056226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).