N-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide

C24H26N2O3 — CID 54260420

IUPACN-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide
SMILESCc1cc2c(cc1NC(=O)Cc1ccccc1)C(n1cccc1)C(O)C(C)(C)O2
InChIInChI=1S/C24H26N2O3/c1-16-13-20-18(15-19(16)25-21(27)14-17-9-5-4-6-10-17)22(26-11-7-8-12-26)23(28)24(2,3)29-20/h4-13,15,22-23,28H,14H2,1-3H3,(H,25,27)
InChIKeyRDCLQKKTEWTYMD-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.10
Rot. Bonds4

About N-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide

N-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide (PubChem CID 54260420) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide
PubChem CID54260420
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide
SMILESCc1cc2c(cc1NC(=O)Cc1ccccc1)C(n1cccc1)C(O)C(C)(C)O2
InChIInChI=1S/C24H26N2O3/c1-16-13-20-18(15-19(16)25-21(27)14-17-9-5-4-6-10-17)22(26-11-7-8-12-26)23(28)24(2,3)29-20/h4-13,15,22-23,28H,14H2,1-3H3,(H,25,27)
InChIKeyRDCLQKKTEWTYMD-UHFFFAOYSA-N
XLogP4.10
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide?
The IUPAC name of N-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide (CID 54260420) is N-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide.
What is the SMILES notation for N-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide?
The canonical SMILES for N-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide is Cc1cc2c(cc1NC(=O)Cc1ccccc1)C(n1cccc1)C(O)C(C)(C)O2.
What is the InChIKey of N-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide?
The InChIKey is RDCLQKKTEWTYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16-13-20-18(15-19(16)25-21(27)14-17-9-5-4-6-10-17)22(26-11-7-8-12-26)23(28)24(2,3)29-20/h4-13,15,22-23,28H,14H2,1-3H3,(H,25,27).
What are the key properties of N-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide?
N-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide has a molecular weight of 390.48 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide is sourced from PubChem (CID 54260420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).