N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide

C16H26N2O — CID 106357063

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-11-7-6-8-12(2)14(11)15(19)18-13(9-10-17)16(3,4)5/h6-8,13H,9-10,17H2,1-5H3,(H,18,19)
InChIKeyFOGUSXGRTOLRRU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds4

About N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide

N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide (PubChem CID 106357063) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide
PubChem CID106357063
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-11-7-6-8-12(2)14(11)15(19)18-13(9-10-17)16(3,4)5/h6-8,13H,9-10,17H2,1-5H3,(H,18,19)
InChIKeyFOGUSXGRTOLRRU-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide (CID 106357063) is N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NC(CCN)C(C)(C)C.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide?
The InChIKey is FOGUSXGRTOLRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-7-6-8-12(2)14(11)15(19)18-13(9-10-17)16(3,4)5/h6-8,13H,9-10,17H2,1-5H3,(H,18,19).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide is sourced from PubChem (CID 106357063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).