(2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide

C20H29N3O3 — CID 9348849

IUPAC(2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
SMILESC[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1ccco1
InChIInChI=1S/C20H29N3O3/c1-13(23(2)12-17-4-3-5-26-17)18(24)21-19(25)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,13-16H,6-12H2,1-2H3,(H2,21,22,24,25)/t13-,14?,15?,16?,20?/m0/s1
InChIKeyRIBDDTKFYAPRIK-IVKJLDKCSA-N
MW359.47 g/mol
LogP2.89
Rot. Bonds5

About (2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide

(2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide (PubChem CID 9348849) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
PubChem CID9348849
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
SMILESC[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1ccco1
InChIInChI=1S/C20H29N3O3/c1-13(23(2)12-17-4-3-5-26-17)18(24)21-19(25)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,13-16H,6-12H2,1-2H3,(H2,21,22,24,25)/t13-,14?,15?,16?,20?/m0/s1
InChIKeyRIBDDTKFYAPRIK-IVKJLDKCSA-N
XLogP2.89
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8921741
(2R)-N-(1-adamantylcarbamoyl)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 9347479
N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678198
(2R)-N-(1-adamantylcarbamoyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9348472
N-(2-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526612
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 7149969
(2R)-N-(1-adamantylcarbamoyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 9345960
(2S)-N-(1-adamantylcarbamoyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9345957
N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 17403152
2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide
CID 51171787
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9347931
(2R)-N-(2,4-dichlorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 9334007

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide?
The IUPAC name of (2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide (CID 9348849) is (2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide?
The canonical SMILES for (2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide is C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1ccco1.
What is the InChIKey of (2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide?
The InChIKey is RIBDDTKFYAPRIK-IVKJLDKCSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-13(23(2)12-17-4-3-5-26-17)18(24)21-19(25)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,13-16H,6-12H2,1-2H3,(H2,21,22,24,25)/t13-,14?,15?,16?,20?/m0/s1.
What are the key properties of (2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide?
(2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide has a molecular weight of 359.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 9348849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).