N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide

C14H20N2O2 — CID 9074224

IUPACN-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
SMILESCCCCCOc1ccc(/C=N\NC(C)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-3-4-5-10-18-14-8-6-13(7-9-14)11-15-16-12(2)17/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)/b15-11-
InChIKeyIPGQTLDHNKFSSI-PTNGSMBKSA-N
MW248.33 g/mol
LogP2.73
Rot. Bonds7

About N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide

N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide (PubChem CID 9074224) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
PubChem CID9074224
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
SMILESCCCCCOc1ccc(/C=N\NC(C)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-3-4-5-10-18-14-8-6-13(7-9-14)11-15-16-12(2)17/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)/b15-11-
InChIKeyIPGQTLDHNKFSSI-PTNGSMBKSA-N
XLogP2.73
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.73
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

N-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
CID 3923690
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
[4-[(E)-(acetylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 6029290
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
N'-[(4-hexoxyphenyl)methylideneamino]oxamide
CID 2590490
[4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate
CID 6382908
[(4-dodecoxyphenyl)methylideneamino]thiourea
CID 75149769
N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide
CID 4930486
2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide (CID 9074224) is N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide is CCCCCOc1ccc(/C=N\NC(C)=O)cc1.
What is the InChIKey of N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide?
The InChIKey is IPGQTLDHNKFSSI-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-4-5-10-18-14-8-6-13(7-9-14)11-15-16-12(2)17/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)/b15-11-.
What are the key properties of N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide?
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide has a molecular weight of 248.33 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 9074224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).