N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide

C15H21ClN2O2 — CID 4060154

IUPACN-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
SMILESCCC(C)=NNC(=O)CCCOc1ccc(Cl)cc1C
InChIInChI=1S/C15H21ClN2O2/c1-4-12(3)17-18-15(19)6-5-9-20-14-8-7-13(16)10-11(14)2/h7-8,10H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyUYHYFVMFKRFPEJ-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.71
Rot. Bonds7

About N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide

N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide (PubChem CID 4060154) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
PubChem CID4060154
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
SMILESCCC(C)=NNC(=O)CCCOc1ccc(Cl)cc1C
InChIInChI=1S/C15H21ClN2O2/c1-4-12(3)17-18-15(19)6-5-9-20-14-8-7-13(16)10-11(14)2/h7-8,10H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyUYHYFVMFKRFPEJ-UHFFFAOYSA-N
XLogP3.71
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide
CID 4648642
N-[1-(4-aminophenyl)ethylideneamino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 5076363
4-(4-chloro-2-methylphenoxy)-N-[1-(5-methylthiophen-2-yl)ethylideneamino]butanamide
CID 4279767
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide
CID 6028022
4-chloro-N-[4-[N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4110646
N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide
CID 6015814
4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide
CID 4658763
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
4-(4-chloro-2-methylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]butanamide
CID 4613145
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 3355735
ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]acetate
CID 4077817

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide?
The IUPAC name of N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide (CID 4060154) is N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide.
What is the SMILES notation for N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide?
The canonical SMILES for N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide is CCC(C)=NNC(=O)CCCOc1ccc(Cl)cc1C.
What is the InChIKey of N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide?
The InChIKey is UYHYFVMFKRFPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-4-12(3)17-18-15(19)6-5-9-20-14-8-7-13(16)10-11(14)2/h7-8,10H,4-6,9H2,1-3H3,(H,18,19).
What are the key properties of N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide?
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide has a molecular weight of 296.80 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide is sourced from PubChem (CID 4060154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).