N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide

C18H24N2O3 — CID 24539621

IUPACN-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2O3/c1-11(19-17(22)15-3-2-4-23-15)16(21)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,11-14H,5-10H2,1H3,(H,19,22)(H,20,21)/t11-,12?,13?,14?,18?/m0/s1
InChIKeyJFNMAOIXQIXUTM-IWERZKIRSA-N
MW316.40 g/mol
LogP2.48
Rot. Bonds4

About N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 24539621) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID24539621
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2O3/c1-11(19-17(22)15-3-2-4-23-15)16(21)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,11-14H,5-10H2,1H3,(H,19,22)(H,20,21)/t11-,12?,13?,14?,18?/m0/s1
InChIKeyJFNMAOIXQIXUTM-IWERZKIRSA-N
XLogP2.48
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575805
N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide
CID 146122763
[1-(1-adamantylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 154763430
(2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755398
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide
CID 119452707
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
4-[2-(furan-2-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 80537997
N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94795898

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide (CID 24539621) is N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is JFNMAOIXQIXUTM-IWERZKIRSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11(19-17(22)15-3-2-4-23-15)16(21)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,11-14H,5-10H2,1H3,(H,19,22)(H,20,21)/t11-,12?,13?,14?,18?/m0/s1.
What are the key properties of N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 24539621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).