N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide

C22H30N2O2 — CID 71105768

IUPACN-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide
SMILESCOc1cccc(CN(C)CCCNC(=O)C(C)c2ccc(C)cc2)c1
InChIInChI=1S/C22H30N2O2/c1-17-9-11-20(12-10-17)18(2)22(25)23-13-6-14-24(3)16-19-7-5-8-21(15-19)26-4/h5,7-12,15,18H,6,13-14,16H2,1-4H3,(H,23,25)
InChIKeyPNSVCQFDFRISAY-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.75
Rot. Bonds9

About N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide

N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide (PubChem CID 71105768) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide
PubChem CID71105768
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide
SMILESCOc1cccc(CN(C)CCCNC(=O)C(C)c2ccc(C)cc2)c1
InChIInChI=1S/C22H30N2O2/c1-17-9-11-20(12-10-17)18(2)22(25)23-13-6-14-24(3)16-19-7-5-8-21(15-19)26-4/h5,7-12,15,18H,6,13-14,16H2,1-4H3,(H,23,25)
InChIKeyPNSVCQFDFRISAY-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
CID 103737738
N'-[(3-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62412294
5-[(3-methoxyphenyl)methyl-methylamino]pentanoic acid
CID 61417598
2-(3-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054231
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614
2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid
CID 24761813
N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]propanamide
CID 132664691
2-amino-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 106151129
4-[(3-methoxyphenyl)methyl-methylamino]butanenitrile
CID 60690539
N-butyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132704874
N-butyl-2-[(3-methoxyphenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]butanamide
CID 132710477

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide?
The IUPAC name of N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide (CID 71105768) is N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide?
The canonical SMILES for N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide is COc1cccc(CN(C)CCCNC(=O)C(C)c2ccc(C)cc2)c1.
What is the InChIKey of N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide?
The InChIKey is PNSVCQFDFRISAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-17-9-11-20(12-10-17)18(2)22(25)23-13-6-14-24(3)16-19-7-5-8-21(15-19)26-4/h5,7-12,15,18H,6,13-14,16H2,1-4H3,(H,23,25).
What are the key properties of N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide?
N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide has a molecular weight of 354.49 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide is sourced from PubChem (CID 71105768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).