N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide

C16H24N2O2 — CID 119786909

IUPACN-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCc1ccccc1OCC1CC1
InChIInChI=1S/C16H24N2O2/c1-12(9-17-2)16(19)18-10-14-5-3-4-6-15(14)20-11-13-7-8-13/h3-6,12-13,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyXZNGRCSTJJVCOX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.95
Rot. Bonds8

About N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide

N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119786909) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119786909
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCc1ccccc1OCC1CC1
InChIInChI=1S/C16H24N2O2/c1-12(9-17-2)16(19)18-10-14-5-3-4-6-15(14)20-11-13-7-8-13/h3-6,12-13,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyXZNGRCSTJJVCOX-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119714426
2-methyl-3-(methylamino)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 119744421
2-amino-N-[[2-(cyclopropylmethoxy)phenyl]methyl]acetamide
CID 119325506
1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol
CID 111421969
N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119772890
2-methyl-3-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]propanamide
CID 119777795
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 111577189
1-[2-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296327
3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95774462
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine
CID 111577185
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111577169
N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119872216

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide (CID 119786909) is N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCc1ccccc1OCC1CC1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is XZNGRCSTJJVCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(9-17-2)16(19)18-10-14-5-3-4-6-15(14)20-11-13-7-8-13/h3-6,12-13,17H,7-11H2,1-2H3,(H,18,19).
What are the key properties of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119786909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).