N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide

C18H30N2O3 — CID 154326478

IUPACN-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide
SMILESCC(CCCC(O)CNC(C)(C)C)ONC(=O)c1ccccc1
InChIInChI=1S/C18H30N2O3/c1-14(9-8-12-16(21)13-19-18(2,3)4)23-20-17(22)15-10-6-5-7-11-15/h5-7,10-11,14,16,19,21H,8-9,12-13H2,1-4H3,(H,20,22)
InChIKeyNFSLWPHGQSVIEK-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.66
Rot. Bonds9

About N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide

N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide (PubChem CID 154326478) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide
PubChem CID154326478
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide
SMILESCC(CCCC(O)CNC(C)(C)C)ONC(=O)c1ccccc1
InChIInChI=1S/C18H30N2O3/c1-14(9-8-12-16(21)13-19-18(2,3)4)23-20-17(22)15-10-6-5-7-11-15/h5-7,10-11,14,16,19,21H,8-9,12-13H2,1-4H3,(H,20,22)
InChIKeyNFSLWPHGQSVIEK-UHFFFAOYSA-N
XLogP2.66
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-prop-2-enoxyoctan-4-yloxy)benzamide
CID 174541568
3-benzamidobutyl benzoate
CID 151154190
6-benzamidohexan-2-yl benzoate
CID 67531968
N-(4-aminobutan-2-yl)benzamide
CID 62087210
[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate
CID 175572844
N-(2-hydroxy-2-methylpropoxy)benzamide
CID 87971931
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650
[2-(tert-butylamino)-1-phenylethyl] acetate
CID 174893597
4-methoxypentyl benzoate
CID 177401647
4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide
CID 129404987
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
benzamido 2-amino-3,3-dimethylbutanoate
CID 57023501

Frequently Asked Questions

What is the IUPAC name of N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide?
The IUPAC name of N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide (CID 154326478) is N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide.
What is the SMILES notation for N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide?
The canonical SMILES for N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide is CC(CCCC(O)CNC(C)(C)C)ONC(=O)c1ccccc1.
What is the InChIKey of N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide?
The InChIKey is NFSLWPHGQSVIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14(9-8-12-16(21)13-19-18(2,3)4)23-20-17(22)15-10-6-5-7-11-15/h5-7,10-11,14,16,19,21H,8-9,12-13H2,1-4H3,(H,20,22).
What are the key properties of N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide?
N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide has a molecular weight of 322.45 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide is sourced from PubChem (CID 154326478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).