N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide

C19H32N2O3 — CID 39951963

IUPACN-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
SMILESCC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCCO
InChIInChI=1S/C19H32N2O3/c1-12(2)16(17(23)20-4-3-5-22)21-18(24)19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16,22H,3-11H2,1-2H3,(H,20,23)(H,21,24)/t13?,14?,15?,16-,19?/m1/s1
InChIKeyIRJQPSIKNHSCKS-LZUXJJCOSA-N
MW336.48 g/mol
LogP1.84
Rot. Bonds7

About N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide

N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide (PubChem CID 39951963) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
PubChem CID39951963
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC NameN-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
SMILESCC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCCO
InChIInChI=1S/C19H32N2O3/c1-12(2)16(17(23)20-4-3-5-22)21-18(24)19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16,22H,3-11H2,1-2H3,(H,20,23)(H,21,24)/t13?,14?,15?,16-,19?/m1/s1
InChIKeyIRJQPSIKNHSCKS-LZUXJJCOSA-N
XLogP1.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide (CID 39951963) is N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide is CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCCO.
What is the InChIKey of N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The InChIKey is IRJQPSIKNHSCKS-LZUXJJCOSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-12(2)16(17(23)20-4-3-5-22)21-18(24)19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16,22H,3-11H2,1-2H3,(H,20,23)(H,21,24)/t13?,14?,15?,16-,19?/m1/s1.
What are the key properties of N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 39951963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).