N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide

C22H30N2O — CID 24639990

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(Cc2ccccc2)N(C)C)c(C)c1
InChIInChI=1S/C22H30N2O/c1-17-10-11-20(18(2)14-17)12-13-22(25)23-16-21(24(3)4)15-19-8-6-5-7-9-19/h5-11,14,21H,12-13,15-16H2,1-4H3,(H,23,25)
InChIKeySNNNWZVPJNPDDX-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.53
Rot. Bonds8

About N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide

N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide (PubChem CID 24639990) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide
PubChem CID24639990
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(Cc2ccccc2)N(C)C)c(C)c1
InChIInChI=1S/C22H30N2O/c1-17-10-11-20(18(2)14-17)12-13-22(25)23-16-21(24(3)4)15-19-8-6-5-7-9-19/h5-11,14,21H,12-13,15-16H2,1-4H3,(H,23,25)
InChIKeySNNNWZVPJNPDDX-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2,4-dimethylphenyl)propanoylamino]-2-phenylpropanoic acid
CID 119254764
N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-methoxyphenyl)propanamide
CID 51186444
N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
CID 75844778
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
CID 47007668
3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide
CID 46470304
N-[2-(dimethylamino)-3-phenylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175658
3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 78866814
N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51186432
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 110889436

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide (CID 24639990) is N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide is Cc1ccc(CCC(=O)NCC(Cc2ccccc2)N(C)C)c(C)c1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide?
The InChIKey is SNNNWZVPJNPDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-17-10-11-20(18(2)14-17)12-13-22(25)23-16-21(24(3)4)15-19-8-6-5-7-9-19/h5-11,14,21H,12-13,15-16H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide?
N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide has a molecular weight of 338.50 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 24639990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).