N-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide

C28H32N2O5 — CID 90743630

IUPACN-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide
SMILESCCC(=O)N(CC(C)(C)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1)c1ccccc1O
InChIInChI=1S/C28H32N2O5/c1-6-26(32)30(22-9-7-8-10-23(22)31)18-28(2,3)20-12-14-21(15-13-20)29-27(33)19-11-16-24(34-4)25(17-19)35-5/h7-17,31H,6,18H2,1-5H3,(H,29,33)
InChIKeyPKIRLSSNXOBXKO-UHFFFAOYSA-N
MW476.57 g/mol
LogP5.38
Rot. Bonds9

About N-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide

N-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 90743630) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is N-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide
PubChem CID90743630
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC NameN-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide
SMILESCCC(=O)N(CC(C)(C)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1)c1ccccc1O
InChIInChI=1S/C28H32N2O5/c1-6-26(32)30(22-9-7-8-10-23(22)31)18-28(2,3)20-12-14-21(15-13-20)29-27(33)19-11-16-24(34-4)25(17-19)35-5/h7-17,31H,6,18H2,1-5H3,(H,29,33)
InChIKeyPKIRLSSNXOBXKO-UHFFFAOYSA-N
XLogP5.38
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.57
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate
CID 175265795
N-[4-(N-ethylanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986552
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide
CID 67545094
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide
CID 90873510
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate
CID 174590894
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide
CID 67546780
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;N-[4-(2-cyanopropan-2-yl)-3-ethylphenyl]-3,4-dimethoxybenzamide
CID 69044116
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide (CID 90743630) is N-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide is CCC(=O)N(CC(C)(C)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1)c1ccccc1O.
What is the InChIKey of N-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is PKIRLSSNXOBXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-6-26(32)30(22-9-7-8-10-23(22)31)18-28(2,3)20-12-14-21(15-13-20)29-27(33)19-11-16-24(34-4)25(17-19)35-5/h7-17,31H,6,18H2,1-5H3,(H,29,33).
What are the key properties of N-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide?
N-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 476.57 g/mol, XLogP of 5.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 90743630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).