2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide

C23H29N3O3 — CID 51170473

IUPAC2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC1CN(CC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)CC(C)O1
InChIInChI=1S/C23H29N3O3/c1-16-13-26(14-17(2)29-16)15-22(27)25-21-12-8-7-11-20(21)23(28)24-18(3)19-9-5-4-6-10-19/h4-12,16-18H,13-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyKKFHKBMCSPGRBH-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.23
Rot. Bonds6

About 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide

2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 51170473) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID51170473
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC1CN(CC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)CC(C)O1
InChIInChI=1S/C23H29N3O3/c1-16-13-26(14-17(2)29-16)15-22(27)25-21-12-8-7-11-20(21)23(28)24-18(3)19-9-5-4-6-10-19/h4-12,16-18H,13-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyKKFHKBMCSPGRBH-UHFFFAOYSA-N
XLogP3.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
CID 8530568
1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
CID 8530563
(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide
CID 9304747
1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide
CID 17422445
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 40891642
2-[[2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 124823995
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 51724685
2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 26551359
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096773
N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 56542180
2-[[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 55412348

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 51170473) is 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide is CC1CN(CC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)CC(C)O1.
What is the InChIKey of 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is KKFHKBMCSPGRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16-13-26(14-17(2)29-16)15-22(27)25-21-12-8-7-11-20(21)23(28)24-18(3)19-9-5-4-6-10-19/h4-12,16-18H,13-15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 395.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 51170473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).