N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide

C22H30N2O2 — CID 15983684

IUPACN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H30N2O2/c1-17-5-10-19(11-6-17)21(15-16-24(2)3)23-22(25)14-9-18-7-12-20(26-4)13-8-18/h5-8,10-13,21H,9,14-16H2,1-4H3,(H,23,25)
InChIKeyLMVDOARECZMPPF-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.75
Rot. Bonds9

About N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide

N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 15983684) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide
PubChem CID15983684
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H30N2O2/c1-17-5-10-19(11-6-17)21(15-16-24(2)3)23-22(25)14-9-18-7-12-20(26-4)13-8-18/h5-8,10-13,21H,9,14-16H2,1-4H3,(H,23,25)
InChIKeyLMVDOARECZMPPF-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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide (CID 15983684) is N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is LMVDOARECZMPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-17-5-10-19(11-6-17)21(15-16-24(2)3)23-22(25)14-9-18-7-12-20(26-4)13-8-18/h5-8,10-13,21H,9,14-16H2,1-4H3,(H,23,25).
What are the key properties of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide?
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)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-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 15983684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).