N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide

C24H34N2O — CID 43842812

IUPACN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
SMILESCc1ccc(C(CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCC2)cc1
InChIInChI=1S/C24H34N2O/c1-17-4-6-21(7-5-17)22(26-8-2-3-9-26)16-25-23(27)24-13-18-10-19(14-24)12-20(11-18)15-24/h4-7,18-20,22H,2-3,8-16H2,1H3,(H,25,27)
InChIKeyIEECWSIWYGLTPR-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.46
Rot. Bonds5

About N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide

N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide (PubChem CID 43842812) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
PubChem CID43842812
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
SMILESCc1ccc(C(CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCC2)cc1
InChIInChI=1S/C24H34N2O/c1-17-4-6-21(7-5-17)22(26-8-2-3-9-26)16-25-23(27)24-13-18-10-19(14-24)12-20(11-18)15-24/h4-7,18-20,22H,2-3,8-16H2,1H3,(H,25,27)
InChIKeyIEECWSIWYGLTPR-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]adamantane-1-carboxamide
CID 35126632
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 7496559
N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 17014187
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
CID 17012416
N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 35047582
N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide
CID 43956169
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 40752691
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]adamantane-1-carboxamide
CID 4880413
2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119866490
3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 35343824
1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide (CID 43842812) is N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide is Cc1ccc(C(CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide?
The InChIKey is IEECWSIWYGLTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-17-4-6-21(7-5-17)22(26-8-2-3-9-26)16-25-23(27)24-13-18-10-19(14-24)12-20(11-18)15-24/h4-7,18-20,22H,2-3,8-16H2,1H3,(H,25,27).
What are the key properties of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide?
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide is sourced from PubChem (CID 43842812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).