N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide

C19H23NO3 — CID 110355750

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C19H23NO3/c1-14(11-15-7-5-4-6-8-15)19(21)20-13-16-9-10-17(22-2)18(12-16)23-3/h4-10,12,14H,11,13H2,1-3H3,(H,20,21)
InChIKeyNOISTTZPRZQZMJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.20
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide

N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide (PubChem CID 110355750) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
PubChem CID110355750
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C19H23NO3/c1-14(11-15-7-5-4-6-8-15)19(21)20-13-16-9-10-17(22-2)18(12-16)23-3/h4-10,12,14H,11,13H2,1-3H3,(H,20,21)
InChIKeyNOISTTZPRZQZMJ-UHFFFAOYSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 112522401
2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 46631034
3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 112522253
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide
CID 80542148
N-[N'-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamimidoyl]-2-methylpropanamide
CID 123205154
4-chloro-N-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4883303
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 110298822
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 55420565
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 28543096
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylethanamine;2,2,2-trifluoroacetic acid
CID 175721011
2-benzylsulfanyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 132656144
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide (CID 110355750) is N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide is COc1ccc(CNC(=O)C(C)Cc2ccccc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide?
The InChIKey is NOISTTZPRZQZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(11-15-7-5-4-6-8-15)19(21)20-13-16-9-10-17(22-2)18(12-16)23-3/h4-10,12,14H,11,13H2,1-3H3,(H,20,21).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 110355750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).