2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide

C14H23N3O2 — CID 106347919

IUPAC2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H23N3O2/c1-14(2,3)12(6-7-18)17-13(19)10-5-4-9(15)8-11(10)16/h4-5,8,12,18H,6-7,15-16H2,1-3H3,(H,17,19)
InChIKeyPQLXEOWEBSDGGB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.38
Rot. Bonds4

About 2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide

2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (PubChem CID 106347919) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
PubChem CID106347919
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H23N3O2/c1-14(2,3)12(6-7-18)17-13(19)10-5-4-9(15)8-11(10)16/h4-5,8,12,18H,6-7,15-16H2,1-3H3,(H,17,19)
InChIKeyPQLXEOWEBSDGGB-UHFFFAOYSA-N
XLogP1.38
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.38
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

3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347949
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353165
2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353093
5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941089
3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347855
N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide
CID 97339820
3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347896
3-[(4-amino-2-fluorobenzoyl)amino]-4,4-dimethylpentanoic acid
CID 107794801
4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106350244
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-sulfanylbenzamide
CID 106357978

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The IUPAC name of 2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (CID 106347919) is 2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The canonical SMILES for 2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is CC(C)(C)C(CCO)NC(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The InChIKey is PQLXEOWEBSDGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)12(6-7-18)17-13(19)10-5-4-9(15)8-11(10)16/h4-5,8,12,18H,6-7,15-16H2,1-3H3,(H,17,19).
What are the key properties of 2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide has a molecular weight of 265.36 g/mol, XLogP of 1.38, 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-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is sourced from PubChem (CID 106347919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).