4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide

C31H46N2O5 — CID 70288003

IUPAC4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCCCCCCC(CC(=O)Nc1cc(C(=O)NCCOC)ccc1C(C)(C)C)c1ccc(OC)cc1OC
InChIInChI=1S/C31H46N2O5/c1-8-9-10-11-12-22(25-15-14-24(37-6)21-28(25)38-7)20-29(34)33-27-19-23(30(35)32-17-18-36-5)13-16-26(27)31(2,3)4/h13-16,19,21-22H,8-12,17-18,20H2,1-7H3,(H,32,35)(H,33,34)
InChIKeyZHHPXTPQNGNNDN-UHFFFAOYSA-N
MW526.72 g/mol
LogP6.46
Rot. Bonds15

About 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide

4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 70288003) has the molecular formula C31H46N2O5 and a molecular weight of 526.72 g/mol. Its IUPAC name is 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide
PubChem CID70288003
Molecular FormulaC31H46N2O5
Molecular Weight526.72 g/mol
Exact Mass526.34
IUPAC Name4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCCCCCCC(CC(=O)Nc1cc(C(=O)NCCOC)ccc1C(C)(C)C)c1ccc(OC)cc1OC
InChIInChI=1S/C31H46N2O5/c1-8-9-10-11-12-22(25-15-14-24(37-6)21-28(25)38-7)20-29(34)33-27-19-23(30(35)32-17-18-36-5)13-16-26(27)31(2,3)4/h13-16,19,21-22H,8-12,17-18,20H2,1-7H3,(H,32,35)(H,33,34)
InChIKeyZHHPXTPQNGNNDN-UHFFFAOYSA-N
XLogP6.46
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.72
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-3-[3-(4-ethoxy-2-methoxyphenyl)octanoylamino]-N-methylbenzamide
CID 70284498
4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide
CID 19348764
N-[5-(aminomethyl)-2-tert-butylphenyl]-3-(2,4-dimethoxyphenyl)octanamide
CID 19348478
5-[1-[2-tert-butyl-5-(methylcarbamoyl)anilino]-1-oxooctan-3-yl]-2,4-dimethoxybenzamide
CID 70284419
4-tert-butyl-3-[3-(4-cyano-2-methoxyphenyl)octanoylamino]benzamide
CID 19348745
methyl 4-tert-butyl-3-[3-(2,3,4-trimethoxyphenyl)octanoylamino]benzoate
CID 139784333
4-tert-butyl-3-[3-(5-chloro-2,4-dimethoxyphenyl)octanoylamino]benzamide
CID 19348673
3-[3-(5-bromo-2,4-dimethoxyphenyl)octanoylamino]-4-tert-butylbenzamide
CID 19348476
methyl 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-5-methylhexanoyl]amino]benzoate
CID 139784349
4-tert-butyl-3-[3-[5-chloro-2-methoxy-4-(3-methoxypropoxy)phenyl]heptanoylamino]benzoic acid
CID 19348654
N-[5-(acetamidomethyl)-2-tert-butylphenyl]-3-(2,4,6-trimethoxyphenyl)octanamide
CID 19348430
4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]-N-pyridin-4-ylbenzamide
CID 19348741

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide (CID 70288003) is 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide is CCCCCCC(CC(=O)Nc1cc(C(=O)NCCOC)ccc1C(C)(C)C)c1ccc(OC)cc1OC.
What is the InChIKey of 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is ZHHPXTPQNGNNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2O5/c1-8-9-10-11-12-22(25-15-14-24(37-6)21-28(25)38-7)20-29(34)33-27-19-23(30(35)32-17-18-36-5)13-16-26(27)31(2,3)4/h13-16,19,21-22H,8-12,17-18,20H2,1-7H3,(H,32,35)(H,33,34).
What are the key properties of 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide?
4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 526.72 g/mol, XLogP of 6.46, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 70288003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).