N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide

C19H22N2O2 — CID 8518193

IUPACN-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide
SMILESCCC(CC)=NNC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-17(4-2)20-21-19(22)16-12-10-15(11-13-16)14-23-18-8-6-5-7-9-18/h5-13H,3-4,14H2,1-2H3,(H,21,22)
InChIKeyKZQKCPCMCARGFH-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.17
Rot. Bonds7

About N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide

N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide (PubChem CID 8518193) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide
PubChem CID8518193
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide
SMILESCCC(CC)=NNC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-17(4-2)20-21-19(22)16-12-10-15(11-13-16)14-23-18-8-6-5-7-9-18/h5-13H,3-4,14H2,1-2H3,(H,21,22)
InChIKeyKZQKCPCMCARGFH-UHFFFAOYSA-N
XLogP4.17
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-heptan-3-ylideneamino]-4-phenylmethoxybenzamide
CID 54784967
N-(pentan-3-ylideneamino)benzamide
CID 4611553
N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
CID 4933037
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide
CID 6234100
N-(1-phenylhexylideneamino)-4-phenylmethoxybenzamide
CID 4933075
2-[3-[(Z)-C-methyl-N-[[4-(phenoxymethyl)benzoyl]amino]carbonimidoyl]phenoxy]acetic acid
CID 8518059
N-pentan-3-yl-4-(phenoxymethyl)benzamide
CID 55345339
N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide
CID 4225123
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933076
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943

Frequently Asked Questions

What is the IUPAC name of N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide?
The IUPAC name of N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide (CID 8518193) is N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide is CCC(CC)=NNC(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide?
The InChIKey is KZQKCPCMCARGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-17(4-2)20-21-19(22)16-12-10-15(11-13-16)14-23-18-8-6-5-7-9-18/h5-13H,3-4,14H2,1-2H3,(H,21,22).
What are the key properties of N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide?
N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide has a molecular weight of 310.40 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 8518193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).