N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide

C21H30N2O2 — CID 40752691

IUPACN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30N2O2/c24-20(21-11-15-8-16(12-21)10-17(9-15)13-21)22-14-18(19-4-3-7-25-19)23-5-1-2-6-23/h3-4,7,15-18H,1-2,5-6,8-14H2,(H,22,24)/t15?,16?,17?,18-,21?/m0/s1
InChIKeyJOWULBJTBYIARV-QQABJKMWSA-N
MW342.48 g/mol
LogP3.75
Rot. Bonds5

About N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide (PubChem CID 40752691) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
PubChem CID40752691
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30N2O2/c24-20(21-11-15-8-16(12-21)10-17(9-15)13-21)22-14-18(19-4-3-7-25-19)23-5-1-2-6-23/h3-4,7,15-18H,1-2,5-6,8-14H2,(H,22,24)/t15?,16?,17?,18-,21?/m0/s1
InChIKeyJOWULBJTBYIARV-QQABJKMWSA-N
XLogP3.75
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]adamantane-1-carboxamide
CID 4880413
1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide
CID 81172062
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
1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide
CID 61250554
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 43842812
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]adamantane-1-carboxamide
CID 35126632
2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide
CID 51162655
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 112503288
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide (CID 40752691) is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide is O=C(NC[C@@H](c1ccco1)N1CCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide?
The InChIKey is JOWULBJTBYIARV-QQABJKMWSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(21-11-15-8-16(12-21)10-17(9-15)13-21)22-14-18(19-4-3-7-25-19)23-5-1-2-6-23/h3-4,7,15-18H,1-2,5-6,8-14H2,(H,22,24)/t15?,16?,17?,18-,21?/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide?
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide is sourced from PubChem (CID 40752691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).