3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide

C30H30N2O3 — CID 43878417

IUPAC3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(C(=O)N(CC)c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C30H30N2O3/c1-4-21(3)35-26-13-8-12-24(20-26)29(33)31-25-18-16-23(17-19-25)30(34)32(5-2)28-15-9-11-22-10-6-7-14-27(22)28/h6-21H,4-5H2,1-3H3,(H,31,33)
InChIKeyOAYOLAAZUVSTKE-UHFFFAOYSA-N
MW466.58 g/mol
LogP6.94
Rot. Bonds8

About 3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide

3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide (PubChem CID 43878417) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
PubChem CID43878417
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC Name3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(C(=O)N(CC)c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C30H30N2O3/c1-4-21(3)35-26-13-8-12-24(20-26)29(33)31-25-18-16-23(17-19-25)30(34)32(5-2)28-15-9-11-22-10-6-7-14-27(22)28/h6-21H,4-5H2,1-3H3,(H,31,33)
InChIKeyOAYOLAAZUVSTKE-UHFFFAOYSA-N
XLogP6.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
N-ethyl-4-[(4-methoxybenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 4940850
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide
CID 4940815
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4940863
4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17229697
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide
CID 4940853
propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
CID 40769471
4-[(2,2-diphenylacetyl)amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940823
ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate
CID 26168945
3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide
CID 43915005
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 43878391
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide?
The IUPAC name of 3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide (CID 43878417) is 3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide is CCC(C)Oc1cccc(C(=O)Nc2ccc(C(=O)N(CC)c3cccc4ccccc34)cc2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide?
The InChIKey is OAYOLAAZUVSTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3/c1-4-21(3)35-26-13-8-12-24(20-26)29(33)31-25-18-16-23(17-19-25)30(34)32(5-2)28-15-9-11-22-10-6-7-14-27(22)28/h6-21H,4-5H2,1-3H3,(H,31,33).
What are the key properties of 3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide?
3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide has a molecular weight of 466.58 g/mol, XLogP of 6.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 43878417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).