2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide

C22H28N2O3 — CID 140653067

IUPAC2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(C3)C1[C@H](c1ccc(C(=O)NO)cc1)C1CC1)C2
InChIInChI=1S/C22H28N2O3/c23-21(26)22-10-12-7-13(11-22)9-17(8-12)19(22)18(14-1-2-14)15-3-5-16(6-4-15)20(25)24-27/h3-6,12-14,17-19,27H,1-2,7-11H2,(H2,23,26)(H,24,25)/t12?,13?,17?,18-,19?,22?/m0/s1
InChIKeyNJQYSJDZJVDIJQ-DESGXLRFSA-N
MW368.48 g/mol
LogP3.23
Rot. Bonds5

About 2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide

2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide (PubChem CID 140653067) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide
PubChem CID140653067
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(C3)C1[C@H](c1ccc(C(=O)NO)cc1)C1CC1)C2
InChIInChI=1S/C22H28N2O3/c23-21(26)22-10-12-7-13(11-22)9-17(8-12)19(22)18(14-1-2-14)15-3-5-16(6-4-15)20(25)24-27/h3-6,12-14,17-19,27H,1-2,7-11H2,(H2,23,26)(H,24,25)/t12?,13?,17?,18-,19?,22?/m0/s1
InChIKeyNJQYSJDZJVDIJQ-DESGXLRFSA-N
XLogP3.23
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide
CID 87384200
4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide
CID 141108583
2-methyladamantane-1-carboxamide
CID 18421545
N-[cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 87384206
1-carbamoyladamantane-2-carboxylic acid
CID 90958779
2-(propanoylamino)adamantane-1-carboxamide
CID 90910362
4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide
CID 146325651
N-hydroxy-4-[[1-[3-[1-[[4-(hydroxycarbamoyl)phenyl]methylamino]-2-adamantyl]-1-adamantyl]ethylamino]methyl]benzamide
CID 167053482
(1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 90698126
N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide
CID 7929555
methyl (2S)-2-(1-adamantyl)-2-[(4-methylbenzoyl)amino]acetate
CID 7079957
N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane
CID 158933616

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of 2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide (CID 140653067) is 2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for 2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for 2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide is NC(=O)C12CC3CC(CC(C3)C1[C@H](c1ccc(C(=O)NO)cc1)C1CC1)C2.
What is the InChIKey of 2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is NJQYSJDZJVDIJQ-DESGXLRFSA-N. The full InChI is InChI=1S/C22H28N2O3/c23-21(26)22-10-12-7-13(11-22)9-17(8-12)19(22)18(14-1-2-14)15-3-5-16(6-4-15)20(25)24-27/h3-6,12-14,17-19,27H,1-2,7-11H2,(H2,23,26)(H,24,25)/t12?,13?,17?,18-,19?,22?/m0/s1.
What are the key properties of 2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 140653067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).