N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide

C25H28N4O2 — CID 55437961

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H28N4O2/c1-4-29(18-19-10-16-23(17-11-19)28(2)3)24(30)20-12-14-22(15-13-20)27-25(31)26-21-8-6-5-7-9-21/h5-17H,4,18H2,1-3H3,(H2,26,27,31)
InChIKeyUAGQMTJANQNLIP-UHFFFAOYSA-N
MW416.53 g/mol
LogP5.06
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide

N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide (PubChem CID 55437961) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
PubChem CID55437961
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H28N4O2/c1-4-29(18-19-10-16-23(17-11-19)28(2)3)24(30)20-12-14-22(15-13-20)27-25(31)26-21-8-6-5-7-9-21/h5-17H,4,18H2,1-3H3,(H2,26,27,31)
InChIKeyUAGQMTJANQNLIP-UHFFFAOYSA-N
XLogP5.06
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
CID 108523230
N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide
CID 78821680
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140
N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 55370905
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17399777
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide
CID 35603930
4-[[[4-(dimethylamino)phenyl]carbamoylamino]methyl]benzoic acid
CID 108894779
N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
CID 112992911

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide (CID 55437961) is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide is CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide?
The InChIKey is UAGQMTJANQNLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-4-29(18-19-10-16-23(17-11-19)28(2)3)24(30)20-12-14-22(15-13-20)27-25(31)26-21-8-6-5-7-9-21/h5-17H,4,18H2,1-3H3,(H2,26,27,31).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide has a molecular weight of 416.53 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 55437961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).