N-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide

C22H22N2O3 — CID 20889289

IUPACN-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2cccc2C(=O)c2ccccc2C)c1
InChIInChI=1S/C22H22N2O3/c1-16-7-3-4-10-19(16)22(26)20-11-6-12-24(20)15-21(25)23-14-17-8-5-9-18(13-17)27-2/h3-13H,14-15H2,1-2H3,(H,23,25)
InChIKeyMPZNMSFQWMNVBI-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.35
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide

N-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide (PubChem CID 20889289) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide
PubChem CID20889289
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2cccc2C(=O)c2ccccc2C)c1
InChIInChI=1S/C22H22N2O3/c1-16-7-3-4-10-19(16)22(26)20-11-6-12-24(20)15-21(25)23-14-17-8-5-9-18(13-17)27-2/h3-13H,14-15H2,1-2H3,(H,23,25)
InChIKeyMPZNMSFQWMNVBI-UHFFFAOYSA-N
XLogP3.35
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide (CID 20889289) is N-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide is COc1cccc(CNC(=O)Cn2cccc2C(=O)c2ccccc2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide?
The InChIKey is MPZNMSFQWMNVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-16-7-3-4-10-19(16)22(26)20-11-6-12-24(20)15-21(25)23-14-17-8-5-9-18(13-17)27-2/h3-13H,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide?
N-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 20889289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).