N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide

C20H25NO2 — CID 17097232

IUPACN-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
SMILESCC(C)CCOc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-16(2)13-14-23-19-10-6-9-18(15-19)21-20(22)12-11-17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,21,22)
InChIKeyOETAACLXSVHMQZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.68
Rot. Bonds8

About N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide

N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide (PubChem CID 17097232) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
PubChem CID17097232
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
SMILESCC(C)CCOc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-16(2)13-14-23-19-10-6-9-18(15-19)21-20(22)12-11-17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,21,22)
InChIKeyOETAACLXSVHMQZ-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837285
3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 54795379
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide
CID 54795311
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756
3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825190
3-(3-methylbutoxy)-N-(2-phenylethyl)aniline
CID 54800482
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
methyl 3-oxo-3-[3-(2-phenylethoxy)anilino]propanoate
CID 28638067

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide (CID 17097232) is N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide is CC(C)CCOc1cccc(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide?
The InChIKey is OETAACLXSVHMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-16(2)13-14-23-19-10-6-9-18(15-19)21-20(22)12-11-17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide?
N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 17097232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).