2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C23H28N2O4 — CID 9206549

IUPAC2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C23H28N2O4/c1-16(2)15-29-21-12-6-4-10-19(21)23(27)25-20-11-5-3-9-18(20)22(26)24-14-17-8-7-13-28-17/h3-6,9-12,16-17H,7-8,13-15H2,1-2H3,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyMOWNXXIGVXLWSC-KRWDZBQOSA-N
MW396.49 g/mol
LogP3.88
Rot. Bonds8

About 2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 9206549) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID9206549
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C23H28N2O4/c1-16(2)15-29-21-12-6-4-10-19(21)23(27)25-20-11-5-3-9-18(20)22(26)24-14-17-8-7-13-28-17/h3-6,9-12,16-17H,7-8,13-15H2,1-2H3,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyMOWNXXIGVXLWSC-KRWDZBQOSA-N
XLogP3.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-methylpropoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4945492
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-pentoxybenzoyl)amino]benzamide
CID 9232358
2-[[2-(difluoromethoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013865
3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 24506289
2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2989154
N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzamide
CID 30393276
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 9206549) is 2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CC(C)COc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is MOWNXXIGVXLWSC-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(2)15-29-21-12-6-4-10-19(21)23(27)25-20-11-5-3-9-18(20)22(26)24-14-17-8-7-13-28-17/h3-6,9-12,16-17H,7-8,13-15H2,1-2H3,(H,24,26)(H,25,27)/t17-/m0/s1.
What are the key properties of 2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 9206549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).