N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide

C21H27N3O2 — CID 134029595

IUPACN-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NCc1ccc(CN(C)C)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-16(23-21(26)19-7-5-4-6-8-19)13-20(25)22-14-17-9-11-18(12-10-17)15-24(2)3/h4-12,16H,13-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyVIPHQUPEJQCYPZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.57
Rot. Bonds8

About N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide

N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide (PubChem CID 134029595) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide
PubChem CID134029595
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NCc1ccc(CN(C)C)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-16(23-21(26)19-7-5-4-6-8-19)13-20(25)22-14-17-9-11-18(12-10-17)15-24(2)3/h4-12,16H,13-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyVIPHQUPEJQCYPZ-UHFFFAOYSA-N
XLogP2.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51195280
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide
CID 78810531
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,3-diphenylpropanamide
CID 9194490
N-[4-oxo-4-[(4-thiomorpholin-4-ylphenyl)methylamino]butan-2-yl]benzamide
CID 55854816
N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51317181
N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 51195418
N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24640240
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide
CID 111334880
methyl 3-(3-benzamidobutanoylamino)propanoate
CID 134049234
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide (CID 134029595) is N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide is CC(CC(=O)NCc1ccc(CN(C)C)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide?
The InChIKey is VIPHQUPEJQCYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(23-21(26)19-7-5-4-6-8-19)13-20(25)22-14-17-9-11-18(12-10-17)15-24(2)3/h4-12,16H,13-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide?
N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 134029595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).