N-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine

C21H25NO — CID 101003969

IUPACN-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine
SMILESCC(C)C(C#CCCc1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C21H25NO/c1-18(2)21(22(23)17-20-14-7-4-8-15-20)16-10-9-13-19-11-5-3-6-12-19/h3-8,11-12,14-15,18,21,23H,9,13,17H2,1-2H3
InChIKeyAQDDWPTXSWHONA-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.54
Rot. Bonds6

About N-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine

N-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine (PubChem CID 101003969) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine
PubChem CID101003969
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine
SMILESCC(C)C(C#CCCc1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C21H25NO/c1-18(2)21(22(23)17-20-14-7-4-8-15-20)16-10-9-13-19-11-5-3-6-12-19/h3-8,11-12,14-15,18,21,23H,9,13,17H2,1-2H3
InChIKeyAQDDWPTXSWHONA-UHFFFAOYSA-N
XLogP4.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine?
The IUPAC name of N-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine (CID 101003969) is N-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine.
What is the SMILES notation for N-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine?
The canonical SMILES for N-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine is CC(C)C(C#CCCc1ccccc1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine?
The InChIKey is AQDDWPTXSWHONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-18(2)21(22(23)17-20-14-7-4-8-15-20)16-10-9-13-19-11-5-3-6-12-19/h3-8,11-12,14-15,18,21,23H,9,13,17H2,1-2H3.
What are the key properties of N-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine?
N-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine has a molecular weight of 307.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methyl-7-phenylhept-4-yn-3-yl)hydroxylamine is sourced from PubChem (CID 101003969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).