2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide

C14H20N4O4 — CID 170602626

IUPAC2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide
SMILESC/N=C(\C(=O)NC(C)(CO)C(N)=O)c1cc(OC)ccc1N
InChIInChI=1S/C14H20N4O4/c1-14(7-19,13(16)21)18-12(20)11(17-2)9-6-8(22-3)4-5-10(9)15/h4-6,19H,7,15H2,1-3H3,(H2,16,21)(H,18,20)/b17-11-
InChIKeySWCCGQZXWKODCN-BOPFTXTBSA-N
MW308.34 g/mol
LogP-0.95
Rot. Bonds6

About 2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide

2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide (PubChem CID 170602626) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide
PubChem CID170602626
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide
SMILESC/N=C(\C(=O)NC(C)(CO)C(N)=O)c1cc(OC)ccc1N
InChIInChI=1S/C14H20N4O4/c1-14(7-19,13(16)21)18-12(20)11(17-2)9-6-8(22-3)4-5-10(9)15/h4-6,19H,7,15H2,1-3H3,(H2,16,21)(H,18,20)/b17-11-
InChIKeySWCCGQZXWKODCN-BOPFTXTBSA-N
XLogP-0.95
TPSA140.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide
CID 66169982
methyl 2-amino-5-methoxybenzoate
CID 13052275
2-amino-5-methoxybenzamide;ethane
CID 142071126
(2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide
CID 170418064
(2R)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide
CID 170418061
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide
CID 170602937
2-[2-amino-5-[(Z)-3-amino-2-sulfanylbut-2-enoxy]phenyl]-2-methyliminoacetamide
CID 170602800
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide
CID 106139273
1-(2-amino-5-methoxyphenyl)-3-methylbutan-1-one
CID 83987880
2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide
CID 112674220

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide?
The IUPAC name of 2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide (CID 170602626) is 2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide.
What is the SMILES notation for 2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide?
The canonical SMILES for 2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide is C/N=C(\C(=O)NC(C)(CO)C(N)=O)c1cc(OC)ccc1N.
What is the InChIKey of 2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide?
The InChIKey is SWCCGQZXWKODCN-BOPFTXTBSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-14(7-19,13(16)21)18-12(20)11(17-2)9-6-8(22-3)4-5-10(9)15/h4-6,19H,7,15H2,1-3H3,(H2,16,21)(H,18,20)/b17-11-.
What are the key properties of 2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide?
2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide has a molecular weight of 308.34 g/mol, XLogP of -0.95, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide is sourced from PubChem (CID 170602626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).