N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide

C21H27N3O2 — CID 42109135

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)NCCCc1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-16(18-9-5-4-6-10-18)23-21(26)20(25)22-15-7-8-17-11-13-19(14-12-17)24(2)3/h4-6,9-14,16H,7-8,15H2,1-3H3,(H,22,25)(H,23,26)/t16-/m1/s1
InChIKeyDMCONVKGXDWOKR-MRXNPFEDSA-N
MW353.47 g/mol
LogP2.68
Rot. Bonds7

About N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide

N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide (PubChem CID 42109135) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide
PubChem CID42109135
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)NCCCc1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-16(18-9-5-4-6-10-18)23-21(26)20(25)22-15-7-8-17-11-13-19(14-12-17)24(2)3/h4-6,9-14,16H,7-8,15H2,1-3H3,(H,22,25)(H,23,26)/t16-/m1/s1
InChIKeyDMCONVKGXDWOKR-MRXNPFEDSA-N
XLogP2.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide
CID 7639481
N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2207238
[(1R)-1-[4-(dimethylamino)phenyl]-2-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]amino]ethyl]-dimethylazanium
CID 7192228
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide
CID 16891976
N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide
CID 124506857
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891599
4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047018

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide (CID 42109135) is N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide is C[C@@H](NC(=O)C(=O)NCCCc1ccc(N(C)C)cc1)c1ccccc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide?
The InChIKey is DMCONVKGXDWOKR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(18-9-5-4-6-10-18)23-21(26)20(25)22-15-7-8-17-11-13-19(14-12-17)24(2)3/h4-6,9-14,16H,7-8,15H2,1-3H3,(H,22,25)(H,23,26)/t16-/m1/s1.
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide has a molecular weight of 353.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide is sourced from PubChem (CID 42109135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).