N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide

C21H26N4O3 — CID 55869460

IUPACN-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NCc1cccc(NC(=O)CN(C)C)c1
InChIInChI=1S/C21H26N4O3/c1-15(23-21(28)17-9-5-4-6-10-17)20(27)22-13-16-8-7-11-18(12-16)24-19(26)14-25(2)3/h4-12,15H,13-14H2,1-3H3,(H,22,27)(H,23,28)(H,24,26)
InChIKeyWPLSVZHLRAWUFI-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.62
Rot. Bonds8

About N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide

N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 55869460) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID55869460
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NCc1cccc(NC(=O)CN(C)C)c1
InChIInChI=1S/C21H26N4O3/c1-15(23-21(28)17-9-5-4-6-10-17)20(27)22-13-16-8-7-11-18(12-16)24-19(26)14-25(2)3/h4-12,15H,13-14H2,1-3H3,(H,22,27)(H,23,28)(H,24,26)
InChIKeyWPLSVZHLRAWUFI-UHFFFAOYSA-N
XLogP1.62
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide with MolForge

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Related Compounds

2-chloro-N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55797348
2-(dimethylamino)-N-[3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]phenyl]acetamide;hydroiodide
CID 111126312
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 55797339
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide
CID 60571690
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
CID 10107876
N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 47056942
2-(dimethylamino)-N-[3-[[[N-(3-hydroxy-2-phenylpropyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]acetamide
CID 109409303
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55797255
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 55712296
2-(dimethylamino)-N-[3-[[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111247510
4-methyl-N-[3-[[2-(3-phenylprop-2-enoylamino)propanoylamino]methyl]phenyl]benzamide
CID 55946553

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide (CID 55869460) is N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)NCc1cccc(NC(=O)CN(C)C)c1.
What is the InChIKey of N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is WPLSVZHLRAWUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15(23-21(28)17-9-5-4-6-10-17)20(27)22-13-16-8-7-11-18(12-16)24-19(26)14-25(2)3/h4-12,15H,13-14H2,1-3H3,(H,22,27)(H,23,28)(H,24,26).
What are the key properties of N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide?
N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55869460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).