2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide

C14H22N4O3 — CID 77066010

IUPAC2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide
SMILESCOc1ccc(CNC(C)C(=O)N(C)C)cc1C(N)=NO
InChIInChI=1S/C14H22N4O3/c1-9(14(19)18(2)3)16-8-10-5-6-12(21-4)11(7-10)13(15)17-20/h5-7,9,16,20H,8H2,1-4H3,(H2,15,17)
InChIKeyHQQKQUXOJFEFQP-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.36
Rot. Bonds6

About 2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide

2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide (PubChem CID 77066010) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide
PubChem CID77066010
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide
SMILESCOc1ccc(CNC(C)C(=O)N(C)C)cc1C(N)=NO
InChIInChI=1S/C14H22N4O3/c1-9(14(19)18(2)3)16-8-10-5-6-12(21-4)11(7-10)13(15)17-20/h5-7,9,16,20H,8H2,1-4H3,(H2,15,17)
InChIKeyHQQKQUXOJFEFQP-UHFFFAOYSA-N
XLogP0.36
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
N'-hydroxy-2-methoxy-5-[(2-methylpentan-3-ylamino)methyl]benzenecarboximidamide
CID 77066155
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43573898
N'-hydroxy-5-[(1-hydroxybutan-2-ylamino)methyl]-2-methoxybenzenecarboximidamide
CID 77065806
N'-hydroxy-5-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106161779
3-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]propanamide
CID 77065797
3-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N-methylpropanamide
CID 77066079
N'-hydroxy-2-methoxy-5-[(2-propan-2-yloxyethylamino)methyl]benzenecarboximidamide
CID 104762048
N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
CID 77065913
N'-hydroxy-2-methoxy-5-[[1-(oxolan-2-yl)ethylamino]methyl]benzenecarboximidamide
CID 77065751
N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338672
5-[(cyclopropylmethylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065912

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide (CID 77066010) is 2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide is COc1ccc(CNC(C)C(=O)N(C)C)cc1C(N)=NO.
What is the InChIKey of 2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide?
The InChIKey is HQQKQUXOJFEFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(14(19)18(2)3)16-8-10-5-6-12(21-4)11(7-10)13(15)17-20/h5-7,9,16,20H,8H2,1-4H3,(H2,15,17).
What are the key properties of 2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide?
2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide has a molecular weight of 294.36 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 77066010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).