3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide

C19H23N3O2 — CID 26359145

IUPAC3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide
SMILESCC(C)(C)CC(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1
InChIInChI=1S/C19H23N3O2/c1-19(2,3)8-17(23)22-11-15-7-13-5-4-6-16(18(13)24-15)14-9-20-12-21-10-14/h4-6,9-10,12,15H,7-8,11H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyXBDMYKKVULEQGB-OAHLLOKOSA-N
MW325.41 g/mol
LogP3.00
Rot. Bonds4

About 3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide

3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide (PubChem CID 26359145) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide
PubChem CID26359145
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide
SMILESCC(C)(C)CC(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1
InChIInChI=1S/C19H23N3O2/c1-19(2,3)8-17(23)22-11-15-7-13-5-4-6-16(18(13)24-15)14-9-20-12-21-10-14/h4-6,9-10,12,15H,7-8,11H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyXBDMYKKVULEQGB-OAHLLOKOSA-N
XLogP3.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-4-enamide
CID 126467343
1-methyl-N-[[(2S)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
CID 42434784
2-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]butanamide
CID 45206858
N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 45242280
2-(2-methyl-1,3-thiazol-4-yl)-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45166415
5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide
CID 45175739
methyl 3-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamoyl]benzoate
CID 45234496
3-(3,4-dimethoxyphenyl)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42248339
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45166677
N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide
CID 45165954
2,4,5-trifluoro-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45165731
3-(3-methylphenyl)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42246342

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide (CID 26359145) is 3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide is CC(C)(C)CC(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1.
What is the InChIKey of 3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide?
The InChIKey is XBDMYKKVULEQGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(2,3)8-17(23)22-11-15-7-13-5-4-6-16(18(13)24-15)14-9-20-12-21-10-14/h4-6,9-10,12,15H,7-8,11H2,1-3H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide?
3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide has a molecular weight of 325.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide is sourced from PubChem (CID 26359145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).