3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide

C20H25N3O2 — CID 47059686

IUPAC3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide
SMILESCCNC(=O)CN(CC)Cc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-3-21-19(24)15-23(4-2)14-16-9-8-10-17(13-16)20(25)22-18-11-6-5-7-12-18/h5-13H,3-4,14-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyDINRAGOZMNNYGA-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.90
Rot. Bonds8

About 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide

3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide (PubChem CID 47059686) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide
PubChem CID47059686
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide
SMILESCCNC(=O)CN(CC)Cc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-3-21-19(24)15-23(4-2)14-16-9-8-10-17(13-16)20(25)22-18-11-6-5-7-12-18/h5-13H,3-4,14-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyDINRAGOZMNNYGA-UHFFFAOYSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 9432878
3-(diethylaminomethyl)benzohydrazide
CID 63571195
3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide
CID 87022215
3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]methyl]benzoic acid
CID 122029217
ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate
CID 47056940
N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 40700702
N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 52682333
N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 43073865
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949
N-phenyl-3-(sulfanylmethyl)benzamide
CID 18007783
N-ethyl-2-[ethyl-(2-oxo-3-phenylpropyl)amino]acetamide
CID 62030498

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide?
The IUPAC name of 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide (CID 47059686) is 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide is CCNC(=O)CN(CC)Cc1cccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide?
The InChIKey is DINRAGOZMNNYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-21-19(24)15-23(4-2)14-16-9-8-10-17(13-16)20(25)22-18-11-6-5-7-12-18/h5-13H,3-4,14-15H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide?
3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 47059686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).