3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide

C23H29N3O3 — CID 60571005

IUPAC3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1C
InChIInChI=1S/C23H29N3O3/c1-17-6-7-21(12-18(17)2)23(28)25-15-22(27)24-14-19-4-3-5-20(13-19)16-26-8-10-29-11-9-26/h3-7,12-13H,8-11,14-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyURXYBJIWUKQZFG-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.18
Rot. Bonds7

About 3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide

3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide (PubChem CID 60571005) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
PubChem CID60571005
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1C
InChIInChI=1S/C23H29N3O3/c1-17-6-7-21(12-18(17)2)23(28)25-15-22(27)24-14-19-4-3-5-20(13-19)16-26-8-10-29-11-9-26/h3-7,12-13H,8-11,14-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyURXYBJIWUKQZFG-UHFFFAOYSA-N
XLogP2.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55814806
2,4-dichloro-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 60571030
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
N-[2-[[3-(azepan-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 49086013
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-propan-2-yloxybenzamide
CID 94134147
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
N-[2-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 47093414
2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55971149
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 43917914

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide (CID 60571005) is 3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide is Cc1ccc(C(=O)NCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is URXYBJIWUKQZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-6-7-21(12-18(17)2)23(28)25-15-22(27)24-14-19-4-3-5-20(13-19)16-26-8-10-29-11-9-26/h3-7,12-13H,8-11,14-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 60571005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).