N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide

C18H28N4O2 — CID 95139581

IUPACN-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide
SMILESCCNC(=O)NC(=O)CNc1cccc2c1CN([C@H](C)C(C)C)C2
InChIInChI=1S/C18H28N4O2/c1-5-19-18(24)21-17(23)9-20-16-8-6-7-14-10-22(11-15(14)16)13(4)12(2)3/h6-8,12-13,20H,5,9-11H2,1-4H3,(H2,19,21,23,24)/t13-/m1/s1
InChIKeyIJWCFEFECQXYPP-CYBMUJFWSA-N
MW332.45 g/mol
LogP2.30
Rot. Bonds6

About N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide

N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide (PubChem CID 95139581) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide
PubChem CID95139581
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide
SMILESCCNC(=O)NC(=O)CNc1cccc2c1CN([C@H](C)C(C)C)C2
InChIInChI=1S/C18H28N4O2/c1-5-19-18(24)21-17(23)9-20-16-8-6-7-14-10-22(11-15(14)16)13(4)12(2)3/h6-8,12-13,20H,5,9-11H2,1-4H3,(H2,19,21,23,24)/t13-/m1/s1
InChIKeyIJWCFEFECQXYPP-CYBMUJFWSA-N
XLogP2.30
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide with MolForge

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Related Compounds

N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide
CID 95145433
2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 42069173
2-[2-(difluoromethoxy)anilino]-N-(ethylcarbamoyl)acetamide
CID 26525960
N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 26509429
N-[(5-chlorothiadiazol-4-yl)methyl]-2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-amine
CID 99848750
N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide
CID 154814589
2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43370011
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine
CID 91644350
2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 26505810
N-(ethylcarbamoyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132089
2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 9129547
2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide
CID 37475095

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide (CID 95139581) is N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide is CCNC(=O)NC(=O)CNc1cccc2c1CN([C@H](C)C(C)C)C2.
What is the InChIKey of N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide?
The InChIKey is IJWCFEFECQXYPP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-5-19-18(24)21-17(23)9-20-16-8-6-7-14-10-22(11-15(14)16)13(4)12(2)3/h6-8,12-13,20H,5,9-11H2,1-4H3,(H2,19,21,23,24)/t13-/m1/s1.
What are the key properties of N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide?
N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide has a molecular weight of 332.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide is sourced from PubChem (CID 95139581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).