(2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide

C22H30N2O2 — CID 7447577

IUPAC(2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H30N2O2/c1-14-3-5-19(6-4-14)24-21(26)15(2)23-20(25)13-22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,15-18H,7-13H2,1-2H3,(H,23,25)(H,24,26)/t15-,16?,17?,18?,22?/m1/s1
InChIKeySUYXVLBKQYJURG-NOCBQHASSA-N
MW354.49 g/mol
LogP4.04
Rot. Bonds5

About (2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide

(2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide (PubChem CID 7447577) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is (2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide
PubChem CID7447577
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name(2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H30N2O2/c1-14-3-5-19(6-4-14)24-21(26)15(2)23-20(25)13-22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,15-18H,7-13H2,1-2H3,(H,23,25)(H,24,26)/t15-,16?,17?,18?,22?/m1/s1
InChIKeySUYXVLBKQYJURG-NOCBQHASSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 5229641
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 42123413
2-(1-adamantyl)-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122297738
2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 22194369
2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888
2-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-N-methylacetamide
CID 38404079
(2S)-N-(4-acetylphenyl)-2-(1-adamantylmethylamino)propanamide
CID 8512129
N-[(2R)-1-(4-iodoanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 29404544
2-(1-adamantyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122296137
N-[(2S)-1-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9326208
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(adamantane-1-carbonylamino)propanoate
CID 8888685
2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane
CID 177324466

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide (CID 7447577) is (2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of (2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide?
The InChIKey is SUYXVLBKQYJURG-NOCBQHASSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-14-3-5-19(6-4-14)24-21(26)15(2)23-20(25)13-22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,15-18H,7-13H2,1-2H3,(H,23,25)(H,24,26)/t15-,16?,17?,18?,22?/m1/s1.
What are the key properties of (2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide?
(2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide has a molecular weight of 354.49 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 7447577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).