2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide

C11H17N3O2 — CID 65031850

IUPAC2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide
SMILESCC(CO)CNC(=O)c1ccc(N)cc1N
InChIInChI=1S/C11H17N3O2/c1-7(6-15)5-14-11(16)9-3-2-8(12)4-10(9)13/h2-4,7,15H,5-6,12-13H2,1H3,(H,14,16)
InChIKeyFZXVZXHYBFSHKN-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.21
Rot. Bonds4

About 2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide

2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide (PubChem CID 65031850) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide
PubChem CID65031850
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide
SMILESCC(CO)CNC(=O)c1ccc(N)cc1N
InChIInChI=1S/C11H17N3O2/c1-7(6-15)5-14-11(16)9-3-2-8(12)4-10(9)13/h2-4,7,15H,5-6,12-13H2,1H3,(H,14,16)
InChIKeyFZXVZXHYBFSHKN-UHFFFAOYSA-N
XLogP0.21
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 65036645
2,4-diamino-N-(3-methylbutyl)benzamide
CID 61092536
3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65032070
2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide
CID 79723461
4-[(4-amino-2-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 113342355
2-[(3-hydroxy-2-methylpropyl)carbamoyl]benzoic acid
CID 65034048
N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 65034246
2,4-diamino-N-hexylbenzamide
CID 61111728
2-chloro-N-(3-hydroxy-2-methylpropyl)-5-sulfanylbenzamide
CID 107031103
2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide
CID 64682133
2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 107861769
4-amino-N-(2-methoxypropyl)-2-methylbenzamide
CID 102694270

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide (CID 65031850) is 2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide is CC(CO)CNC(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide?
The InChIKey is FZXVZXHYBFSHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(6-15)5-14-11(16)9-3-2-8(12)4-10(9)13/h2-4,7,15H,5-6,12-13H2,1H3,(H,14,16).
What are the key properties of 2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide?
2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide has a molecular weight of 223.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 65031850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).