4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide

C30H30N2O4 — CID 4939588

IUPAC4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc3c(NC(=O)c4ccc(OCCC)cc4)cccc23)cc1
InChIInChI=1S/C30H30N2O4/c1-3-19-35-23-15-11-21(12-16-23)29(33)31-27-9-5-8-26-25(27)7-6-10-28(26)32-30(34)22-13-17-24(18-14-22)36-20-4-2/h5-18H,3-4,19-20H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyCMGLGPRGDOUPMN-UHFFFAOYSA-N
MW482.58 g/mol
LogP6.92
Rot. Bonds10

About 4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide

4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide (PubChem CID 4939588) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is 4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
PubChem CID4939588
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC Name4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc3c(NC(=O)c4ccc(OCCC)cc4)cccc23)cc1
InChIInChI=1S/C30H30N2O4/c1-3-19-35-23-15-11-21(12-16-23)29(33)31-27-9-5-8-26-25(27)7-6-10-28(26)32-30(34)22-13-17-24(18-14-22)36-20-4-2/h5-18H,3-4,19-20H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyCMGLGPRGDOUPMN-UHFFFAOYSA-N
XLogP6.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
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CID 3982301
N-(4-oxochromen-8-yl)-4-propoxybenzamide
CID 22371146
N-(2-propan-2-ylphenyl)-4-propoxybenzamide
CID 6463952
N,N-dimethyl-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938525
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 9095277
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide?
The IUPAC name of 4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide (CID 4939588) is 4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide.
What is the SMILES notation for 4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide?
The canonical SMILES for 4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide is CCCOc1ccc(C(=O)Nc2cccc3c(NC(=O)c4ccc(OCCC)cc4)cccc23)cc1.
What is the InChIKey of 4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide?
The InChIKey is CMGLGPRGDOUPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c1-3-19-35-23-15-11-21(12-16-23)29(33)31-27-9-5-8-26-25(27)7-6-10-28(26)32-30(34)22-13-17-24(18-14-22)36-20-4-2/h5-18H,3-4,19-20H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of 4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide?
4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide has a molecular weight of 482.58 g/mol, XLogP of 6.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide is sourced from PubChem (CID 4939588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).