3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide

C23H25N3O3 — CID 143391703

IUPAC3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide
SMILESCC[C@H](C)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2cnc(C)cn2)c1
InChIInChI=1S/C23H25N3O3/c1-4-17(3)29-21-11-19(23(27)26-22-14-24-16(2)13-25-22)10-20(12-21)28-15-18-8-6-5-7-9-18/h5-14,17H,4,15H2,1-3H3,(H,25,26,27)/t17-/m0/s1
InChIKeyDUIKNWKVRZUXRO-KRWDZBQOSA-N
MW391.47 g/mol
LogP4.79
Rot. Bonds8

About 3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide

3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide (PubChem CID 143391703) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide
PubChem CID143391703
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide
SMILESCC[C@H](C)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2cnc(C)cn2)c1
InChIInChI=1S/C23H25N3O3/c1-4-17(3)29-21-11-19(23(27)26-22-14-24-16(2)13-25-22)10-20(12-21)28-15-18-8-6-5-7-9-18/h5-14,17H,4,15H2,1-3H3,(H,25,26,27)/t17-/m0/s1
InChIKeyDUIKNWKVRZUXRO-KRWDZBQOSA-N
XLogP4.79
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2S)-butan-2-yl]oxy-5-phenylmethoxybenzoate
CID 59127096
3-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoyl]amino]-5-methylpyrazole-1-carboxylic acid
CID 66921195
N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide
CID 142197494
tert-butyl 3-[(3-phenylmethoxy-5-propan-2-yloxybenzoyl)amino]pyrazole-1-carboxylate
CID 57469201
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane
CID 161286829
3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide
CID 59735837
5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]pyrazine-2-carbonyl cyanide
CID 88562028
3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide
CID 142694067
3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide
CID 53482140
3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid
CID 67484587
N-(6-methyl-2-pyridinyl)-4-phenylmethoxybenzamide
CID 35036020
3-[(5,5-dioxo-3,4-dihydro-2H-1,5lambda6-benzoxathiepin-8-yl)oxy]-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide
CID 15950120

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide?
The IUPAC name of 3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide (CID 143391703) is 3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide.
What is the SMILES notation for 3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide?
The canonical SMILES for 3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide is CC[C@H](C)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2cnc(C)cn2)c1.
What is the InChIKey of 3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide?
The InChIKey is DUIKNWKVRZUXRO-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-17(3)29-21-11-19(23(27)26-22-14-24-16(2)13-25-22)10-20(12-21)28-15-18-8-6-5-7-9-18/h5-14,17H,4,15H2,1-3H3,(H,25,26,27)/t17-/m0/s1.
What are the key properties of 3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide?
3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide has a molecular weight of 391.47 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide is sourced from PubChem (CID 143391703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).