N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

C19H30N2O3 — CID 110013927

IUPACN-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(O)C(NC(=O)C1CC1)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30N2O3/c1-11(22)16(21-17(23)15-2-3-15)18(24)20-10-19-7-12-4-13(8-19)6-14(5-12)9-19/h11-16,22H,2-10H2,1H3,(H,20,24)(H,21,23)
InChIKeyQSDPUOHGUMUJPT-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.59
Rot. Bonds6

About N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110013927) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID110013927
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(O)C(NC(=O)C1CC1)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30N2O3/c1-11(22)16(21-17(23)15-2-3-15)18(24)20-10-19-7-12-4-13(8-19)6-14(5-12)9-19/h11-16,22H,2-10H2,1H3,(H,20,24)(H,21,23)
InChIKeyQSDPUOHGUMUJPT-UHFFFAOYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-1-[2-(1-adamantyl)ethyl]-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 16745893
(2S,3R)-2-[[(2S)-2-[[2-(1-adamantyl)acetyl]amino]-4-aminobutanoyl]amino]-N-[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxybutanamide
CID 46883557
N-{2-[(2-hydroxy-1,1-dimethylethyl)amino]-1-methyl-2-oxoethyl}-1-adamantanecarboxamide
CID 2933951
N-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 5201848
1-[2-(1-Adamantyl)ethyl]-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 73319645
N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7410461
N-[(2R)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7410462
N-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7858349
N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7858350
(6S)-1-[2-(1-adamantyl)ethyl]-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 22770767
(2S,3R)-2-[[2-(1-adamantyl)acetyl]amino]-N-[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxybutanamide
CID 25053452
N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 39951963

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110013927) is N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is CC(O)C(NC(=O)C1CC1)C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is QSDPUOHGUMUJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-11(22)16(21-17(23)15-2-3-15)18(24)20-10-19-7-12-4-13(8-19)6-14(5-12)9-19/h11-16,22H,2-10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110013927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).