N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide

C20H26N2O2 — CID 146122763

IUPACN-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26N2O2/c1-13(21-19(24)17-5-3-2-4-6-17)18(23)22-20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,13-16H,7-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyYYQCTMITARIJGW-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.89
Rot. Bonds4

About N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide

N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 146122763) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide
PubChem CID146122763
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26N2O2/c1-13(21-19(24)17-5-3-2-4-6-17)18(23)22-20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,13-16H,7-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyYYQCTMITARIJGW-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24539621
N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 7800864
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
(2R)-N-(1-adamantylcarbamoyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 9345960
(2S)-N-(1-adamantylcarbamoyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9345957
2-(1-adamantyl)-2-benzamidoacetic acid
CID 2835966
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
2-[[4-(1-adamantyl)benzoyl]amino]propanoic acid
CID 6620649
(1-oxo-1-phenylpropan-2-yl) 4-(1-adamantylcarbamoyl)benzenesulfonate
CID 134252769
(2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755398

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide (CID 146122763) is N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is YYQCTMITARIJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(21-19(24)17-5-3-2-4-6-17)18(23)22-20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,13-16H,7-12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide?
N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 326.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 146122763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).