N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide

C13H19N5O3 — CID 90192878

IUPACN-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide
SMILES[H]/N=N/N(C)C(=O)Nc1cccc(C)c1CONC(=O)CC
InChIInChI=1S/C13H19N5O3/c1-4-12(19)16-21-8-10-9(2)6-5-7-11(10)15-13(20)18(3)17-14/h5-7,14H,4,8H2,1-3H3,(H,15,20)(H,16,19)/b17-14+
InChIKeyMGLUIMQCSDRMLU-SAPNQHFASA-N
MW293.33 g/mol
LogP2.36
Rot. Bonds6

About N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide

N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide (PubChem CID 90192878) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide.

Molecular Properties

Compound NameN-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide
PubChem CID90192878
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide
SMILES[H]/N=N/N(C)C(=O)Nc1cccc(C)c1CONC(=O)CC
InChIInChI=1S/C13H19N5O3/c1-4-12(19)16-21-8-10-9(2)6-5-7-11(10)15-13(20)18(3)17-14/h5-7,14H,4,8H2,1-3H3,(H,15,20)(H,16,19)/b17-14+
InChIKeyMGLUIMQCSDRMLU-SAPNQHFASA-N
XLogP2.36
TPSA106.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-diazenyl-3-[2-[[(Z)-1-(5-ethyl-6-methylcyclohexa-1,5-dien-1-yl)ethylideneamino]oxymethyl]-3-methylphenyl]-1-methylurea
CID 172985711
1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea
CID 162095536
1-amino-3-[2-(methoxymethyl)-3-methylphenyl]-1-methylurea
CID 129110314
1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea
CID 163985169
N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide
CID 130318288
N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 129038836
3-[3-chloro-2-[[4-(4-ethylpyrimidin-2-yl)-2-methylphenoxy]methyl]phenyl]-1-diazenyl-1-methylurea
CID 147688565
3-[2-[[4-(4-chloro-2-pyridinyl)-2-methylphenyl]methoxy]-3-methylphenyl]-1-diazenyl-1-methylurea
CID 163767560
1-amino-3-[2-[[4-(cyclopropanecarbonyl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-methylurea
CID 129109909
N-[(2-amino-6-fluorophenyl)methoxy]propanamide
CID 90192871
3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea
CID 137250692
N-[(2-ethyl-6-isocyanatophenyl)methoxy]propanamide
CID 90192947

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide?
The IUPAC name of N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide (CID 90192878) is N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide.
What is the SMILES notation for N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide?
The canonical SMILES for N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide is [H]/N=N/N(C)C(=O)Nc1cccc(C)c1CONC(=O)CC.
What is the InChIKey of N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide?
The InChIKey is MGLUIMQCSDRMLU-SAPNQHFASA-N. The full InChI is InChI=1S/C13H19N5O3/c1-4-12(19)16-21-8-10-9(2)6-5-7-11(10)15-13(20)18(3)17-14/h5-7,14H,4,8H2,1-3H3,(H,15,20)(H,16,19)/b17-14+.
What are the key properties of N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide?
N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide has a molecular weight of 293.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide is sourced from PubChem (CID 90192878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).