N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide

C20H33N5O2 — CID 111009965

IUPACN-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide
SMILESCCN/C(=N\CCCNC(=O)c1ccccc1)N(C)CC(=O)N(CC)CC
InChIInChI=1S/C20H33N5O2/c1-5-21-20(24(4)16-18(26)25(6-2)7-3)23-15-11-14-22-19(27)17-12-9-8-10-13-17/h8-10,12-13H,5-7,11,14-16H2,1-4H3,(H,21,23)(H,22,27)
InChIKeyMWCRSAYUEJZVFZ-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.57
Rot. Bonds10

About N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide

N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide (PubChem CID 111009965) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide
PubChem CID111009965
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide
SMILESCCN/C(=N\CCCNC(=O)c1ccccc1)N(C)CC(=O)N(CC)CC
InChIInChI=1S/C20H33N5O2/c1-5-21-20(24(4)16-18(26)25(6-2)7-3)23-15-11-14-22-19(27)17-12-9-8-10-13-17/h8-10,12-13H,5-7,11,14-16H2,1-4H3,(H,21,23)(H,22,27)
InChIKeyMWCRSAYUEJZVFZ-UHFFFAOYSA-N
XLogP1.57
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-{(3r,6s,9s,12r)-6-Ethyl-12-Methyl-9-[3-(N'-Methylcarbamimidamido)propyl]-2,5,8,11-Tetraoxo-3-Phenyl-1,4,7,10-Tetraazacyclotetradecan-12-Yl}-2-Methylpropanamide
CID 129010138
N-(2-(Diethylamino)ethyl)benzamide
CID 19400
N-(2-(Dimethylamino)ethyl)benzamide
CID 113158
4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzamide
CID 2810721
(2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}pentyl]-2-(phenylformamido)hexanamide
CID 24971353
N(alpha)-Benzoylarginineamide
CID 188293
N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-cyclohexyl-1-oxopropan-2-yl]benzamide
CID 155523848
2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide
CID 9115927
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide
CID 16737759
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide
CID 59262483
Bz-Val-Pro-Arg-CH2F
CID 126679917
N-(2-amino-2-oxoethyl)benzamide
CID 238721

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide?
The IUPAC name of N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide (CID 111009965) is N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide.
What is the SMILES notation for N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide?
The canonical SMILES for N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide is CCN/C(=N\CCCNC(=O)c1ccccc1)N(C)CC(=O)N(CC)CC.
What is the InChIKey of N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide?
The InChIKey is MWCRSAYUEJZVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-5-21-20(24(4)16-18(26)25(6-2)7-3)23-15-11-14-22-19(27)17-12-9-8-10-13-17/h8-10,12-13H,5-7,11,14-16H2,1-4H3,(H,21,23)(H,22,27).
What are the key properties of N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide?
N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide has a molecular weight of 375.52 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide is sourced from PubChem (CID 111009965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).