2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide

C15H24N2O2 — CID 54896649

IUPAC2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide
SMILESCOCc1cccc(CNC(C)C(=O)NC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-15(18)12(3)16-9-13-6-5-7-14(8-13)10-19-4/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyOHAXUZJDASLOQJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.84
Rot. Bonds7

About 2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide

2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide (PubChem CID 54896649) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide
PubChem CID54896649
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide
SMILESCOCc1cccc(CNC(C)C(=O)NC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-15(18)12(3)16-9-13-6-5-7-14(8-13)10-19-4/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyOHAXUZJDASLOQJ-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide
CID 61003057
N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 61003389
N-cyclopropyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 54896696
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide
CID 113243144
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652
4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54896409
5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
CID 82012253
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 107685981

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide (CID 54896649) is 2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide is COCc1cccc(CNC(C)C(=O)NC(C)C)c1.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide?
The InChIKey is OHAXUZJDASLOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)17-15(18)12(3)16-9-13-6-5-7-14(8-13)10-19-4/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide?
2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 54896649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).