N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide

C23H29N3O2 — CID 25389534

IUPACN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)c2nccn2C)cc1
InChIInChI=1S/C23H29N3O2/c1-26-8-7-24-21(26)20(18-3-5-19(28-2)6-4-18)25-22(27)23-12-15-9-16(13-23)11-17(10-15)14-23/h3-8,15-17,20H,9-14H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,23?/m1/s1
InChIKeyBCHHNFUKEFQUPH-LZGZYFLISA-N
MW379.50 g/mol
LogP3.85
Rot. Bonds5

About N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide

N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide (PubChem CID 25389534) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
PubChem CID25389534
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)c2nccn2C)cc1
InChIInChI=1S/C23H29N3O2/c1-26-8-7-24-21(26)20(18-3-5-19(28-2)6-4-18)25-22(27)23-12-15-9-16(13-23)11-17(10-15)14-23/h3-8,15-17,20H,9-14H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,23?/m1/s1
InChIKeyBCHHNFUKEFQUPH-LZGZYFLISA-N
XLogP3.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 55453673
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 42883960
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
N-[4-[[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-4-oxobutyl]adamantane-1-carboxamide
CID 31510549
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 42924349
3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25346365
(2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 39508060
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide (CID 25389534) is N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide is COc1ccc([C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)c2nccn2C)cc1.
What is the InChIKey of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide?
The InChIKey is BCHHNFUKEFQUPH-LZGZYFLISA-N. The full InChI is InChI=1S/C23H29N3O2/c1-26-8-7-24-21(26)20(18-3-5-19(28-2)6-4-18)25-22(27)23-12-15-9-16(13-23)11-17(10-15)14-23/h3-8,15-17,20H,9-14H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,23?/m1/s1.
What are the key properties of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide?
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 25389534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).