N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

C27H30N2O5 — CID 27446104

IUPACN-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c1
InChIInChI=1S/C27H30N2O5/c1-5-29(6-2)27(31)20-13-10-14-22(15-20)28-26(30)21-16-23(32-3)25(24(17-21)33-4)34-18-19-11-8-7-9-12-19/h7-17H,5-6,18H2,1-4H3,(H,28,30)
InChIKeyFIIGBNWUJQFNGN-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.02
Rot. Bonds10

About N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 27446104) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID27446104
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c1
InChIInChI=1S/C27H30N2O5/c1-5-29(6-2)27(31)20-13-10-14-22(15-20)28-26(30)21-16-23(32-3)25(24(17-21)33-4)34-18-19-11-8-7-9-12-19/h7-17H,5-6,18H2,1-4H3,(H,28,30)
InChIKeyFIIGBNWUJQFNGN-UHFFFAOYSA-N
XLogP5.02
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide
CID 39964708
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 122498346
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 55996557
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540
N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 26712704
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 27446104) is N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is CCN(CC)C(=O)c1cccc(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is FIIGBNWUJQFNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-5-29(6-2)27(31)20-13-10-14-22(15-20)28-26(30)21-16-23(32-3)25(24(17-21)33-4)34-18-19-11-8-7-9-12-19/h7-17H,5-6,18H2,1-4H3,(H,28,30).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 462.55 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 27446104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).