N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide

C22H24N2O4 — CID 40768505

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C22H24N2O4/c1-2-13-27-17-11-9-16(10-12-17)21(25)24-20-8-4-3-7-19(20)22(26)23-15-18-6-5-14-28-18/h2-4,7-12,18H,1,5-6,13-15H2,(H,23,26)(H,24,25)/t18-/m1/s1
InChIKeyKQLNYCLLHCLCFH-GOSISDBHSA-N
MW380.44 g/mol
LogP3.41
Rot. Bonds8

About N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide

N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide (PubChem CID 40768505) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
PubChem CID40768505
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C22H24N2O4/c1-2-13-27-17-11-9-16(10-12-17)21(25)24-20-8-4-3-7-19(20)22(26)23-15-18-6-5-14-28-18/h2-4,7-12,18H,1,5-6,13-15H2,(H,23,26)(H,24,25)/t18-/m1/s1
InChIKeyKQLNYCLLHCLCFH-GOSISDBHSA-N
XLogP3.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4950696
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013852
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 42427228
N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
CID 41145376
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 24506289
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
N-cyclopentyl-2-[[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzamide
CID 31287648
2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide (CID 40768505) is N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide is C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The InChIKey is KQLNYCLLHCLCFH-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-2-13-27-17-11-9-16(10-12-17)21(25)24-20-8-4-3-7-19(20)22(26)23-15-18-6-5-14-28-18/h2-4,7-12,18H,1,5-6,13-15H2,(H,23,26)(H,24,25)/t18-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide has a molecular weight of 380.44 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide is sourced from PubChem (CID 40768505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).