(2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide

C19H21N3O4 — CID 40799365

IUPAC(2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](NC(N)=O)C(C)C)oc1ccccc12
InChIInChI=1S/C19H21N3O4/c1-10(2)17(22-19(20)24)18(23)21-13-9-15-12(8-16(13)25-3)11-6-4-5-7-14(11)26-15/h4-10,17H,1-3H3,(H,21,23)(H3,20,22,24)/t17-/m1/s1
InChIKeyXQWVIAGERKWFLJ-QGZVFWFLSA-N
MW355.39 g/mol
LogP3.23
Rot. Bonds5

About (2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide

(2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide (PubChem CID 40799365) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide
PubChem CID40799365
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](NC(N)=O)C(C)C)oc1ccccc12
InChIInChI=1S/C19H21N3O4/c1-10(2)17(22-19(20)24)18(23)21-13-9-15-12(8-16(13)25-3)11-6-4-5-7-14(11)26-15/h4-10,17H,1-3H3,(H,21,23)(H3,20,22,24)/t17-/m1/s1
InChIKeyXQWVIAGERKWFLJ-QGZVFWFLSA-N
XLogP3.23
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3257798
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate
CID 5004378
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
(2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7613372
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821691
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821695
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811454
(2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2462122
(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2317955
(2S)-2-(2-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7815222

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide (CID 40799365) is (2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide is COc1cc2c(cc1NC(=O)[C@H](NC(N)=O)C(C)C)oc1ccccc12.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide?
The InChIKey is XQWVIAGERKWFLJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-10(2)17(22-19(20)24)18(23)21-13-9-15-12(8-16(13)25-3)11-6-4-5-7-14(11)26-15/h4-10,17H,1-3H3,(H,21,23)(H3,20,22,24)/t17-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide?
(2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide has a molecular weight of 355.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide is sourced from PubChem (CID 40799365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).