N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

C29H28N2O5 — CID 4940863

IUPACN-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C29H28N2O5/c1-5-31(24-12-8-10-19-9-6-7-11-23(19)24)29(33)20-13-15-22(16-14-20)30-28(32)21-17-25(34-2)27(36-4)26(18-21)35-3/h6-18H,5H2,1-4H3,(H,30,32)
InChIKeyYSTJZMBHQKMIJM-UHFFFAOYSA-N
MW484.55 g/mol
LogP5.78
Rot. Bonds8

About N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 4940863) has the molecular formula C29H28N2O5 and a molecular weight of 484.55 g/mol. Its IUPAC name is N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID4940863
Molecular FormulaC29H28N2O5
Molecular Weight484.55 g/mol
Exact Mass484.20
IUPAC NameN-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C29H28N2O5/c1-5-31(24-12-8-10-19-9-6-7-11-23(19)24)29(33)20-13-15-22(16-14-20)30-28(32)21-17-25(34-2)27(36-4)26(18-21)35-3/h6-18H,5H2,1-4H3,(H,30,32)
InChIKeyYSTJZMBHQKMIJM-UHFFFAOYSA-N
XLogP5.78
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[(4-methoxybenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 4940850
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide
CID 4940853
4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 43878417
4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 26168850
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide
CID 4940815
ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate
CID 26168945
4-[(2,2-diphenylacetyl)amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940823
N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide
CID 4940910
4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid
CID 4940775
N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide
CID 26169011
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 43878391

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (CID 4940863) is N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is CCN(C(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is YSTJZMBHQKMIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O5/c1-5-31(24-12-8-10-19-9-6-7-11-23(19)24)29(33)20-13-15-22(16-14-20)30-28(32)21-17-25(34-2)27(36-4)26(18-21)35-3/h6-18H,5H2,1-4H3,(H,30,32).
What are the key properties of N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 484.55 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 4940863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).