3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide

C26H32N2O4 — CID 56941033

IUPAC3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide
SMILESCCc1cc(C(=O)c2cccc(OC)c2)n(C)c1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C26H32N2O4/c1-4-16-11-21(24(29)17-6-5-7-20(10-17)32-3)28(2)23(16)25(30)27-22-18-8-15-9-19(22)14-26(31,12-15)13-18/h5-7,10-11,15,18-19,22,31H,4,8-9,12-14H2,1-3H3,(H,27,30)
InChIKeyRPSIGSJDLWQMRX-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.50
Rot. Bonds6

About 3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide

3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide (PubChem CID 56941033) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide
PubChem CID56941033
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide
SMILESCCc1cc(C(=O)c2cccc(OC)c2)n(C)c1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C26H32N2O4/c1-4-16-11-21(24(29)17-6-5-7-20(10-17)32-3)28(2)23(16)25(30)27-22-18-8-15-9-19(22)14-26(31,12-15)13-18/h5-7,10-11,15,18-19,22,31H,4,8-9,12-14H2,1-3H3,(H,27,30)
InChIKeyRPSIGSJDLWQMRX-UHFFFAOYSA-N
XLogP3.50
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-hydroxy-2-adamantyl)-1,3-dimethyl-5-(1-methylpyrrole-2-carbonyl)pyrrole-2-carboxamide
CID 56941479
(3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone
CID 114962447
4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide
CID 56941909
N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide
CID 7751740
N-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide
CID 54591134
N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methyl-2-(3-methylphenoxy)propanamide
CID 59684649
1-tert-butyl-N-(5-hydroxy-2-adamantyl)-5-(methoxymethyl)pyrazole-4-carboxamide
CID 77168395
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-(2-amino-4-ethoxycyclobutyl)-3-methoxybenzamide
CID 66195301
N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide
CID 59658188
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide
CID 66635743
N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide
CID 10072060

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide (CID 56941033) is 3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide is CCc1cc(C(=O)c2cccc(OC)c2)n(C)c1C(=O)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is RPSIGSJDLWQMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-4-16-11-21(24(29)17-6-5-7-20(10-17)32-3)28(2)23(16)25(30)27-22-18-8-15-9-19(22)14-26(31,12-15)13-18/h5-7,10-11,15,18-19,22,31H,4,8-9,12-14H2,1-3H3,(H,27,30).
What are the key properties of 3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide?
3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 56941033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).