N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide

C19H30N2O4 — CID 133213570

IUPACN-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCOCCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)C(C)C
InChIInChI=1S/C19H30N2O4/c1-14(2)19(23)21(13-16-7-9-17(25-5)10-8-16)15(3)18(22)20-11-6-12-24-4/h7-10,14-15H,6,11-13H2,1-5H3,(H,20,22)
InChIKeyHVKHZEUEKLXRJB-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.22
Rot. Bonds10

About N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide

N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 133213570) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
PubChem CID133213570
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCOCCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)C(C)C
InChIInChI=1S/C19H30N2O4/c1-14(2)19(23)21(13-16-7-9-17(25-5)10-8-16)15(3)18(22)20-11-6-12-24-4/h7-10,14-15H,6,11-13H2,1-5H3,(H,20,22)
InChIKeyHVKHZEUEKLXRJB-UHFFFAOYSA-N
XLogP2.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 133213563
N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
CID 133236577
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 133213573
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
CID 133213651
N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 100529470
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 132705518
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 133149574
(2R)-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 100528406
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 133213482
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
CID 133213649
2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132704751
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 133212989

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide (CID 133213570) is N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide is COCCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)C(C)C.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide?
The InChIKey is HVKHZEUEKLXRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-14(2)19(23)21(13-16-7-9-17(25-5)10-8-16)15(3)18(22)20-11-6-12-24-4/h7-10,14-15H,6,11-13H2,1-5H3,(H,20,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide?
N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 350.46 g/mol, XLogP of 2.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 133213570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).