2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide

C15H21N3O3 — CID 103166077

IUPAC2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
SMILESCCOC1CC(CC(=O)Nc2ccc(/C(N)=N/O)cc2)C1
InChIInChI=1S/C15H21N3O3/c1-2-21-13-7-10(8-13)9-14(19)17-12-5-3-11(4-6-12)15(16)18-20/h3-6,10,13,20H,2,7-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyHXCMGEPCNPVGMF-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.92
Rot. Bonds6

About 2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide

2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide (PubChem CID 103166077) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
PubChem CID103166077
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
SMILESCCOC1CC(CC(=O)Nc2ccc(/C(N)=N/O)cc2)C1
InChIInChI=1S/C15H21N3O3/c1-2-21-13-7-10(8-13)9-14(19)17-12-5-3-11(4-6-12)15(16)18-20/h3-6,10,13,20H,2,7-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyHXCMGEPCNPVGMF-UHFFFAOYSA-N
XLogP1.92
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxycyclobutyl)-N-(4-sulfamoylphenyl)acetamide
CID 103164408
2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid
CID 103161737
2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide
CID 136705914
N-(3-amino-4-ethylphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161581
N-(4-amino-3-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161664
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide
CID 61277576
N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103163570
2-bromo-5-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103162104
N,N'-bis[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 59542856
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-N'-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 46945588
N-(2-amino-2-hydroxyiminoethyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166100
3-bromo-5-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103162083

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide (CID 103166077) is 2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide is CCOC1CC(CC(=O)Nc2ccc(/C(N)=N/O)cc2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide?
The InChIKey is HXCMGEPCNPVGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-13-7-10(8-13)9-14(19)17-12-5-3-11(4-6-12)15(16)18-20/h3-6,10,13,20H,2,7-9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide?
2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide is sourced from PubChem (CID 103166077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).