N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide

C20H25N3O4 — CID 110205090

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CC1(n2cccc2)CCOCC1
InChIInChI=1S/C20H25N3O4/c1-15(24)21-16-5-6-18(26-2)17(13-16)22-19(25)14-20(7-11-27-12-8-20)23-9-3-4-10-23/h3-6,9-10,13H,7-8,11-12,14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHWXFRFGJKWVNJY-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.99
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide

N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide (PubChem CID 110205090) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
PubChem CID110205090
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CC1(n2cccc2)CCOCC1
InChIInChI=1S/C20H25N3O4/c1-15(24)21-16-5-6-18(26-2)17(13-16)22-19(25)14-20(7-11-27-12-8-20)23-9-3-4-10-23/h3-6,9-10,13H,7-8,11-12,14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHWXFRFGJKWVNJY-UHFFFAOYSA-N
XLogP2.99
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 91639946
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N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
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CID 31502105
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Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide (CID 110205090) is N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide is COc1ccc(NC(C)=O)cc1NC(=O)CC1(n2cccc2)CCOCC1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The InChIKey is HWXFRFGJKWVNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-15(24)21-16-5-6-18(26-2)17(13-16)22-19(25)14-20(7-11-27-12-8-20)23-9-3-4-10-23/h3-6,9-10,13H,7-8,11-12,14H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide is sourced from PubChem (CID 110205090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).