N-pentan-3-yl-2-phenoxybenzamide

C18H21NO2 — CID 884731

IUPACN-pentan-3-yl-2-phenoxybenzamide
SMILESCCC(CC)NC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-14(4-2)19-18(20)16-12-8-9-13-17(16)21-15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3,(H,19,20)
InChIKeyASGOGXXNUVFGGX-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.40
Rot. Bonds6

About N-pentan-3-yl-2-phenoxybenzamide

N-pentan-3-yl-2-phenoxybenzamide (PubChem CID 884731) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-pentan-3-yl-2-phenoxybenzamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-phenoxybenzamide
PubChem CID884731
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-pentan-3-yl-2-phenoxybenzamide
SMILESCCC(CC)NC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-14(4-2)19-18(20)16-12-8-9-13-17(16)21-15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3,(H,19,20)
InChIKeyASGOGXXNUVFGGX-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-octan-2-yl-2-phenoxybenzamide
CID 4673195
N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide
CID 164755077
N-[(2R)-1-methoxypropan-2-yl]-2-phenoxybenzamide
CID 884755
N-benzhydryl-2-phenoxybenzamide
CID 3401619
2-[(2-phenoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 1251991
N-(1-aminobutan-2-yl)-2-methoxybenzamide
CID 63753352
N-pentan-3-yl-3-phenoxybenzamide
CID 2442055
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-phenoxybenzamide
CID 60571640
2-phenoxy-N-phenylbenzamide
CID 3402306
2-methylsulfonyl-N-pentan-3-ylbenzamide
CID 16625808
2-phenoxy-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 9468013
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-phenoxybenzamide?
The IUPAC name of N-pentan-3-yl-2-phenoxybenzamide (CID 884731) is N-pentan-3-yl-2-phenoxybenzamide.
What is the SMILES notation for N-pentan-3-yl-2-phenoxybenzamide?
The canonical SMILES for N-pentan-3-yl-2-phenoxybenzamide is CCC(CC)NC(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-pentan-3-yl-2-phenoxybenzamide?
The InChIKey is ASGOGXXNUVFGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-14(4-2)19-18(20)16-12-8-9-13-17(16)21-15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-pentan-3-yl-2-phenoxybenzamide?
N-pentan-3-yl-2-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-2-phenoxybenzamide is sourced from PubChem (CID 884731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).