N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide

C14H19N3O3 — CID 107800881

IUPACN-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide
SMILESCc1cccc(NC(=O)CC2CCCO2)c1/C(N)=N/O
InChIInChI=1S/C14H19N3O3/c1-9-4-2-6-11(13(9)14(15)17-19)16-12(18)8-10-5-3-7-20-10/h2,4,6,10,19H,3,5,7-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyGWVLPURDVVDSBE-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.60
Rot. Bonds4

About N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide

N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide (PubChem CID 107800881) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide
PubChem CID107800881
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide
SMILESCc1cccc(NC(=O)CC2CCCO2)c1/C(N)=N/O
InChIInChI=1S/C14H19N3O3/c1-9-4-2-6-11(13(9)14(15)17-19)16-12(18)8-10-5-3-7-20-10/h2,4,6,10,19H,3,5,7-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyGWVLPURDVVDSBE-UHFFFAOYSA-N
XLogP1.60
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.60
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

N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]propanamide
CID 107800793
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-methoxyacetamide
CID 107800785
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3,3-dimethylbutanamide
CID 107800916
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 107800886
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 114304745
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-4-methylpiperidine-1-carboxamide
CID 107800956
N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65159878
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107800827

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide (CID 107800881) is N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide is Cc1cccc(NC(=O)CC2CCCO2)c1/C(N)=N/O.
What is the InChIKey of N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is GWVLPURDVVDSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-4-2-6-11(13(9)14(15)17-19)16-12(18)8-10-5-3-7-20-10/h2,4,6,10,19H,3,5,7-8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide?
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 107800881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).