(7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide

C25H36N2O — CID 162754679

IUPAC(7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide
SMILESCCC1C2CC3(C(=O)NC4CCC(N)CC4)C[C@H]1CC(c1ccccc1)(C2)C3
InChIInChI=1S/C25H36N2O/c1-2-22-17-12-24(19-6-4-3-5-7-19)13-18(22)15-25(14-17,16-24)23(28)27-21-10-8-20(26)9-11-21/h3-7,17-18,20-22H,2,8-16,26H2,1H3,(H,27,28)/t17-,18?,20?,21?,22?,24?,25?/m1/s1
InChIKeyFRRREFPUEDCAIE-LPGDOPTFSA-N
MW380.58 g/mol
LogP4.55
Rot. Bonds4

About (7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide

(7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide (PubChem CID 162754679) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is (7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide.

Molecular Properties

Compound Name(7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide
PubChem CID162754679
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name(7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide
SMILESCCC1C2CC3(C(=O)NC4CCC(N)CC4)C[C@H]1CC(c1ccccc1)(C2)C3
InChIInChI=1S/C25H36N2O/c1-2-22-17-12-24(19-6-4-3-5-7-19)13-18(22)15-25(14-17,16-24)23(28)27-21-10-8-20(26)9-11-21/h3-7,17-18,20-22H,2,8-16,26H2,1H3,(H,27,28)/t17-,18?,20?,21?,22?,24?,25?/m1/s1
InChIKeyFRRREFPUEDCAIE-LPGDOPTFSA-N
XLogP4.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide
CID 175633706
N-[4-(aminomethyl)cyclohexyl]-6-benzyl-3-phenyladamantane-1-carboxamide
CID 162525714
N-[4-(aminomethyl)cyclohexyl]-6-(3,3-difluoropropyl)-3-phenyladamantane-1-carboxamide
CID 175630052
N-[4-(aminomethyl)cyclohexyl]-6-[(ethoxyamino)methyl]-3-phenyladamantane-1-carboxamide
CID 175633191
N-(4-aminocyclohexyl)-3-phenyl-6-(3,3,3-trifluoropropylidene)adamantane-1-carboxamide
CID 162525365
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733
N-(4-aminocyclohexyl)-6-(3-chloropropyl)-3-phenyladamantane-1-carbothioamide
CID 171762346
N-(4-aminocyclohexyl)-3-phenyl-1'-phenylmethoxyspiro[adamantane-6,2'-aziridine]-1-carboxamide
CID 175626949
N-[4-(aminomethyl)cyclohexyl]-6-(cyclopropylmethylidene)-3-phenyladamantane-1-carboxamide
CID 175627195
N-(4-aminocyclohexyl)-5-(methylsulfanylmethyl)-7-phenyladamantane-2-carboxamide
CID 162525387
(3S,5R)-N-(4-aminocyclohexyl)-3-(2-fluoroethyl)-5-phenyladamantane-1-carboxamide
CID 137436155
N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide
CID 171762327

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide?
The IUPAC name of (7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide (CID 162754679) is (7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide.
What is the SMILES notation for (7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide?
The canonical SMILES for (7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide is CCC1C2CC3(C(=O)NC4CCC(N)CC4)C[C@H]1CC(c1ccccc1)(C2)C3.
What is the InChIKey of (7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide?
The InChIKey is FRRREFPUEDCAIE-LPGDOPTFSA-N. The full InChI is InChI=1S/C25H36N2O/c1-2-22-17-12-24(19-6-4-3-5-7-19)13-18(22)15-25(14-17,16-24)23(28)27-21-10-8-20(26)9-11-21/h3-7,17-18,20-22H,2,8-16,26H2,1H3,(H,27,28)/t17-,18?,20?,21?,22?,24?,25?/m1/s1.
What are the key properties of (7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide?
(7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide has a molecular weight of 380.58 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide is sourced from PubChem (CID 162754679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).