N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide

C22H26N2O2 — CID 34833770

IUPACN,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)C2(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-3-24(4-2)20(25)18-12-10-17(11-13-18)16-23-21(26)22(14-15-22)19-8-6-5-7-9-19/h5-13H,3-4,14-16H2,1-2H3,(H,23,26)
InChIKeyTUGIGVQOUVJKSF-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.52
Rot. Bonds7

About N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide

N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide (PubChem CID 34833770) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide
PubChem CID34833770
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)C2(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-3-24(4-2)20(25)18-12-10-17(11-13-18)16-23-21(26)22(14-15-22)19-8-6-5-7-9-19/h5-13H,3-4,14-16H2,1-2H3,(H,23,26)
InChIKeyTUGIGVQOUVJKSF-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide
CID 27445895
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 33315785
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
4-[[(1-phenylcyclohexanecarbonyl)amino]methyl]benzoic acid
CID 134561755
N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821432
N,N-diethyl-4-[[[N'-methyl-N-[(1-phenylcyclobutyl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111855460
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide
CID 2947985
4-[[4-(diethylcarbamoyl)anilino]methyl]benzoic acid
CID 122033517
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
CID 134034329

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide (CID 34833770) is N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide is CCN(CC)C(=O)c1ccc(CNC(=O)C2(c3ccccc3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide?
The InChIKey is TUGIGVQOUVJKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-24(4-2)20(25)18-12-10-17(11-13-18)16-23-21(26)22(14-15-22)19-8-6-5-7-9-19/h5-13H,3-4,14-16H2,1-2H3,(H,23,26).
What are the key properties of N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide?
N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide has a molecular weight of 350.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide is sourced from PubChem (CID 34833770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).