N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide

C21H27N3O2 — CID 51195418

IUPACN-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NCC(c1ccccc1)N(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-16(23-21(26)18-12-8-5-9-13-18)14-20(25)22-15-19(24(2)3)17-10-6-4-7-11-17/h4-13,16,19H,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyURFZYJDSRBJNLY-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.61
Rot. Bonds8

About N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide

N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide (PubChem CID 51195418) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
PubChem CID51195418
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NCC(c1ccccc1)N(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-16(23-21(26)18-12-8-5-9-13-18)14-20(25)22-15-19(24(2)3)17-10-6-4-7-11-17/h4-13,16,19H,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyURFZYJDSRBJNLY-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24640240
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide
CID 81087504
N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide
CID 110888740
N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55936274
N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide
CID 134029595
N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
CID 111425941
N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24599874
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
methyl 3-benzamidobutanoate
CID 10857046
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide (CID 51195418) is N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide is CC(CC(=O)NCC(c1ccccc1)N(C)C)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is URFZYJDSRBJNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(23-21(26)18-12-8-5-9-13-18)14-20(25)22-15-19(24(2)3)17-10-6-4-7-11-17/h4-13,16,19H,14-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide?
N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51195418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).