N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide

C21H24N2O4 — CID 9049529

IUPACN-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3o2)c1
InChIInChI=1S/C21H24N2O4/c1-13(2)9-18(21-23-17-7-5-6-8-19(17)27-21)22-20(24)14-10-15(25-3)12-16(11-14)26-4/h5-8,10-13,18H,9H2,1-4H3,(H,22,24)/t18-/m1/s1
InChIKeyKDDYBKIYDDRLCT-GOSISDBHSA-N
MW368.43 g/mol
LogP4.36
Rot. Bonds7

About N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide

N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide (PubChem CID 9049529) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide
PubChem CID9049529
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3o2)c1
InChIInChI=1S/C21H24N2O4/c1-13(2)9-18(21-23-17-7-5-6-8-19(17)27-21)22-20(24)14-10-15(25-3)12-16(11-14)26-4/h5-8,10-13,18H,9H2,1-4H3,(H,22,24)/t18-/m1/s1
InChIKeyKDDYBKIYDDRLCT-GOSISDBHSA-N
XLogP4.36
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide
CID 9049434
N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-1-benzofuran-2-carboxamide
CID 9049628
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 9049656
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(4-bromophenoxy)acetamide
CID 9049595
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-cyanophenoxy)acetamide
CID 9049565
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide
CID 9049601
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9049482
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 54858624
3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
CID 55620274
N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110278958

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide (CID 9049529) is N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3o2)c1.
What is the InChIKey of N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide?
The InChIKey is KDDYBKIYDDRLCT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13(2)9-18(21-23-17-7-5-6-8-19(17)27-21)22-20(24)14-10-15(25-3)12-16(11-14)26-4/h5-8,10-13,18H,9H2,1-4H3,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide?
N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide has a molecular weight of 368.43 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 9049529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).