3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide

C28H31N3O4 — CID 140702508

IUPAC3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide
SMILESCOC(C)[C@@H](C(=O)N(c1ccc(-c2ccccc2)cc1)c1cccc(C(N)=O)c1)N1CCOCC1
InChIInChI=1S/C28H31N3O4/c1-20(34-2)26(30-15-17-35-18-16-30)28(33)31(25-10-6-9-23(19-25)27(29)32)24-13-11-22(12-14-24)21-7-4-3-5-8-21/h3-14,19-20,26H,15-18H2,1-2H3,(H2,29,32)/t20?,26-/m0/s1
InChIKeyGBCBGPRVESYHSC-GHZUAHJPSA-N
MW473.57 g/mol
LogP3.85
Rot. Bonds8

About 3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide

3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide (PubChem CID 140702508) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide.

Molecular Properties

Compound Name3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide
PubChem CID140702508
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide
SMILESCOC(C)[C@@H](C(=O)N(c1ccc(-c2ccccc2)cc1)c1cccc(C(N)=O)c1)N1CCOCC1
InChIInChI=1S/C28H31N3O4/c1-20(34-2)26(30-15-17-35-18-16-30)28(33)31(25-10-6-9-23(19-25)27(29)32)24-13-11-22(12-14-24)21-7-4-3-5-8-21/h3-14,19-20,26H,15-18H2,1-2H3,(H2,29,32)/t20?,26-/m0/s1
InChIKeyGBCBGPRVESYHSC-GHZUAHJPSA-N
XLogP3.85
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide?
The IUPAC name of 3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide (CID 140702508) is 3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide.
What is the SMILES notation for 3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide?
The canonical SMILES for 3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide is COC(C)[C@@H](C(=O)N(c1ccc(-c2ccccc2)cc1)c1cccc(C(N)=O)c1)N1CCOCC1.
What is the InChIKey of 3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide?
The InChIKey is GBCBGPRVESYHSC-GHZUAHJPSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-20(34-2)26(30-15-17-35-18-16-30)28(33)31(25-10-6-9-23(19-25)27(29)32)24-13-11-22(12-14-24)21-7-4-3-5-8-21/h3-14,19-20,26H,15-18H2,1-2H3,(H2,29,32)/t20?,26-/m0/s1.
What are the key properties of 3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide?
3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide has a molecular weight of 473.57 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[(2S)-3-methoxy-2-morpholin-4-ylbutanoyl]-4-phenylanilino)benzamide is sourced from PubChem (CID 140702508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).