N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide

C23H24N2O2 — CID 109020512

IUPACN-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide
SMILESCN(Cc1ccccc1)C(=O)CCNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H24N2O2/c1-25(18-19-8-4-2-5-9-19)23(26)16-17-24-20-12-14-22(15-13-20)27-21-10-6-3-7-11-21/h2-15,24H,16-18H2,1H3
InChIKeyJQHGGOZFTYAISC-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.94
Rot. Bonds8

About N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide

N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide (PubChem CID 109020512) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide
PubChem CID109020512
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide
SMILESCN(Cc1ccccc1)C(=O)CCNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H24N2O2/c1-25(18-19-8-4-2-5-9-19)23(26)16-17-24-20-12-14-22(15-13-20)27-21-10-6-3-7-11-21/h2-15,24H,16-18H2,1H3
InChIKeyJQHGGOZFTYAISC-UHFFFAOYSA-N
XLogP4.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498
N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806685
N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54821466
N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109020525
3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020497
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 56540431
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide
CID 109020527
N,N-dimethyl-3-(3-phenoxyanilino)propanamide
CID 61367393
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 109020403
N-methyl-N-phenyl-3-(4-phenylmethoxyanilino)propanamide
CID 109034597

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide?
The IUPAC name of N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide (CID 109020512) is N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide is CN(Cc1ccccc1)C(=O)CCNc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide?
The InChIKey is JQHGGOZFTYAISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-25(18-19-8-4-2-5-9-19)23(26)16-17-24-20-12-14-22(15-13-20)27-21-10-6-3-7-11-21/h2-15,24H,16-18H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide?
N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide has a molecular weight of 360.46 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide is sourced from PubChem (CID 109020512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).