N-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide

C15H22ClN3O3 — CID 134111017

IUPACN-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCON(C)C(=O)Nc1ccc(CNC(=O)C(C)(C)C)c(Cl)c1
InChIInChI=1S/C15H22ClN3O3/c1-15(2,3)13(20)17-9-10-6-7-11(8-12(10)16)18-14(21)19(4)22-5/h6-8H,9H2,1-5H3,(H,17,20)(H,18,21)
InChIKeyLIAGTNJFYMYXNP-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.03
Rot. Bonds4

About N-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide

N-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 134111017) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide
PubChem CID134111017
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCON(C)C(=O)Nc1ccc(CNC(=O)C(C)(C)C)c(Cl)c1
InChIInChI=1S/C15H22ClN3O3/c1-15(2,3)13(20)17-9-10-6-7-11(8-12(10)16)18-14(21)19(4)22-5/h6-8H,9H2,1-5H3,(H,17,20)(H,18,21)
InChIKeyLIAGTNJFYMYXNP-UHFFFAOYSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-chloro-4-[(4-nitrophenoxy)methyl]phenyl]-1-methoxy-1-methylurea
CID 134095294
3-[3-chloro-4-(2-methylbut-3-yn-2-yloxymethoxy)phenyl]-1-methoxy-1-methylurea
CID 88820793
tris(3-(4-chlorophenyl)-1,1-dimethylurea);bis(3-(4-chlorophenyl)-1-methoxy-1-methylurea)
CID 173361300
N-(3,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962989
tert-butyl N-[4-(aminomethyl)-3-chlorophenyl]carbamate
CID 22467470
methyl 2-chloro-5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoate
CID 38239611
N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide
CID 55697658
3-[3-[3-(3,4-dichlorophenyl)propyl]phenyl]-1-methoxy-1-methylurea
CID 54419076
2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]benzoic acid
CID 58483267
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea
CID 117059873
3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea
CID 88724929

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide (CID 134111017) is N-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide is CON(C)C(=O)Nc1ccc(CNC(=O)C(C)(C)C)c(Cl)c1.
What is the InChIKey of N-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is LIAGTNJFYMYXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-15(2,3)13(20)17-9-10-6-7-11(8-12(10)16)18-14(21)19(4)22-5/h6-8H,9H2,1-5H3,(H,17,20)(H,18,21).
What are the key properties of N-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide?
N-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 327.81 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 134111017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).