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

C24H30N2O3 — CID 54064766

IUPACN-(3-hydroxy-2,2,7-trimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide
SMILESCc1cc2c(cc1NC(=O)Cc1ccccc1)C(N1CCCC1)C(O)C(C)(C)O2
InChIInChI=1S/C24H30N2O3/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/h4-6,9-10,13,15,22-23,28H,7-8,11-12,14H2,1-3H3,(H,25,27)
InChIKeyMCEGSRHGUKCWNG-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.85
Rot. Bonds4

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

N-(3-hydroxy-2,2,7-trimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide (PubChem CID 54064766) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,7-trimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,7-trimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide
PubChem CID54064766
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-(3-hydroxy-2,2,7-trimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide
SMILESCc1cc2c(cc1NC(=O)Cc1ccccc1)C(N1CCCC1)C(O)C(C)(C)O2
InChIInChI=1S/C24H30N2O3/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/h4-6,9-10,13,15,22-23,28H,7-8,11-12,14H2,1-3H3,(H,25,27)
InChIKeyMCEGSRHGUKCWNG-UHFFFAOYSA-N
XLogP3.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,2,7-trimethyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide
CID 54260420
(3S)-2,2-dimethyl-7-nitro-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-ol;hydrochloride
CID 45259301
2,3-dihydroxybutanedioic acid;(3R,4S)-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrobenzo[h]chromen-3-ol
CID 22799393
6,6-dimethyl-8-piperidin-1-yl-2,3,7,8-tetrahydro-1H-pyrano[2,3-f]benzimidazol-7-ol;hydrate;dihydrochloride
CID 70513822
(3R,4S)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile;hydrochloride
CID 70411192
N-[(3R,4S)-3-hydroxy-2,2,4-trimethyl-7-nitro-3,4-dihydrochromen-6-yl]-2-(4-methylphenyl)acetamide
CID 59057363
(3S,4R)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-ol
CID 88771836
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 42155264
N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide
CID 162730824
2-(4-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 26070733
N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-2-phenylacetamide
CID 131931780

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,7-trimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide?
The IUPAC name of N-(3-hydroxy-2,2,7-trimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide (CID 54064766) is N-(3-hydroxy-2,2,7-trimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide.
What is the SMILES notation for N-(3-hydroxy-2,2,7-trimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide?
The canonical SMILES for N-(3-hydroxy-2,2,7-trimethyl-4-pyrrolidin-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-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide?
The InChIKey is MCEGSRHGUKCWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/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/h4-6,9-10,13,15,22-23,28H,7-8,11-12,14H2,1-3H3,(H,25,27).
What are the key properties of N-(3-hydroxy-2,2,7-trimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide?
N-(3-hydroxy-2,2,7-trimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide has a molecular weight of 394.52 g/mol, XLogP of 3.85, 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-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide is sourced from PubChem (CID 54064766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).