N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide

C22H31NO2 — CID 40573046

IUPACN-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1Cc1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31NO2/c24-21(22-12-15-8-16(13-22)10-17(9-15)14-22)23-20-6-2-1-4-18(20)11-19-5-3-7-25-19/h3,5,7,15-18,20H,1-2,4,6,8-14H2,(H,23,24)/t15?,16?,17?,18-,20+,22?/m1/s1
InChIKeyYZNHXAKNDQHQQV-YFBMGZMASA-N
MW341.50 g/mol
LogP4.71
Rot. Bonds4

About N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide

N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide (PubChem CID 40573046) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide
PubChem CID40573046
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC NameN-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1Cc1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31NO2/c24-21(22-12-15-8-16(13-22)10-17(9-15)14-22)23-20-6-2-1-4-18(20)11-19-5-3-7-25-19/h3,5,7,15-18,20H,1-2,4,6,8-14H2,(H,23,24)/t15?,16?,17?,18-,20+,22?/m1/s1
InChIKeyYZNHXAKNDQHQQV-YFBMGZMASA-N
XLogP4.71
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide?
The IUPAC name of N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide (CID 40573046) is N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide is O=C(N[C@H]1CCCC[C@@H]1Cc1ccco1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide?
The InChIKey is YZNHXAKNDQHQQV-YFBMGZMASA-N. The full InChI is InChI=1S/C22H31NO2/c24-21(22-12-15-8-16(13-22)10-17(9-15)14-22)23-20-6-2-1-4-18(20)11-19-5-3-7-25-19/h3,5,7,15-18,20H,1-2,4,6,8-14H2,(H,23,24)/t15?,16?,17?,18-,20+,22?/m1/s1.
What are the key properties of N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide?
N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide is sourced from PubChem (CID 40573046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).