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

C16H26N2O3 — CID 106347855

IUPAC3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCCOc1c(N)cccc1C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-5-21-14-11(7-6-8-12(14)17)15(20)18-13(9-10-19)16(2,3)4/h6-8,13,19H,5,9-10,17H2,1-4H3,(H,18,20)
InChIKeyPMDXIDZZSAKFTD-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.19
Rot. Bonds6

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

3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (PubChem CID 106347855) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
PubChem CID106347855
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCCOc1c(N)cccc1C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-5-21-14-11(7-6-8-12(14)17)15(20)18-13(9-10-19)16(2,3)4/h6-8,13,19H,5,9-10,17H2,1-4H3,(H,18,20)
InChIKeyPMDXIDZZSAKFTD-UHFFFAOYSA-N
XLogP2.19
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
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-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151929
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
3-amino-2-ethoxy-N-pent-4-yn-2-ylbenzamide
CID 113476869
3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 113472635
3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
CID 103459929
2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347919
3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
CID 107316231
N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide
CID 97339820
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide
CID 103940867
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 106164172

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The IUPAC name of 3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (CID 106347855) is 3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.
What is the SMILES notation for 3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The canonical SMILES for 3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is CCOc1c(N)cccc1C(=O)NC(CCO)C(C)(C)C.
What is the InChIKey of 3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The InChIKey is PMDXIDZZSAKFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-21-14-11(7-6-8-12(14)17)15(20)18-13(9-10-19)16(2,3)4/h6-8,13,19H,5,9-10,17H2,1-4H3,(H,18,20).
What are the key properties of 3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide has a molecular weight of 294.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is sourced from PubChem (CID 106347855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).