N-pentan-3-yl-3-phenoxybenzamide

C18H21NO2 — CID 2442055

IUPACN-pentan-3-yl-3-phenoxybenzamide
SMILESCCC(CC)NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-3-15(4-2)19-18(20)14-9-8-12-17(13-14)21-16-10-6-5-7-11-16/h5-13,15H,3-4H2,1-2H3,(H,19,20)
InChIKeyWTNOBAHYRHJCAI-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.40
Rot. Bonds6

About N-pentan-3-yl-3-phenoxybenzamide

N-pentan-3-yl-3-phenoxybenzamide (PubChem CID 2442055) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-pentan-3-yl-3-phenoxybenzamide.

Molecular Properties

Compound NameN-pentan-3-yl-3-phenoxybenzamide
PubChem CID2442055
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-pentan-3-yl-3-phenoxybenzamide
SMILESCCC(CC)NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-3-15(4-2)19-18(20)14-9-8-12-17(13-14)21-16-10-6-5-7-11-16/h5-13,15H,3-4H2,1-2H3,(H,19,20)
InChIKeyWTNOBAHYRHJCAI-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
CID 78773277
methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate
CID 9277490
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide
CID 60552825
N-pentan-3-yl-2-phenoxybenzamide
CID 884731
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane
CID 157186209
N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide
CID 86813866
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-pentan-3-yl-4-(phenoxymethyl)benzamide
CID 55345339
N-(3-ethylphenyl)-3-phenoxybenzamide
CID 7935232
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-3-phenoxybenzamide?
The IUPAC name of N-pentan-3-yl-3-phenoxybenzamide (CID 2442055) is N-pentan-3-yl-3-phenoxybenzamide.
What is the SMILES notation for N-pentan-3-yl-3-phenoxybenzamide?
The canonical SMILES for N-pentan-3-yl-3-phenoxybenzamide is CCC(CC)NC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-pentan-3-yl-3-phenoxybenzamide?
The InChIKey is WTNOBAHYRHJCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-15(4-2)19-18(20)14-9-8-12-17(13-14)21-16-10-6-5-7-11-16/h5-13,15H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-pentan-3-yl-3-phenoxybenzamide?
N-pentan-3-yl-3-phenoxybenzamide has a molecular weight of 283.37 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-3-phenoxybenzamide is sourced from PubChem (CID 2442055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).