N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine

C20H23NO — CID 101462784

IUPACN-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine
SMILESCCCCC(C#Cc1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C20H23NO/c1-2-3-14-20(16-15-18-10-6-4-7-11-18)21(22)17-19-12-8-5-9-13-19/h4-13,20,22H,2-3,14,17H2,1H3
InChIKeyYEEZXXNAPGUXKN-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.49
Rot. Bonds6

About N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine

N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine (PubChem CID 101462784) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine
PubChem CID101462784
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine
SMILESCCCCC(C#Cc1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C20H23NO/c1-2-3-14-20(16-15-18-10-6-4-7-11-18)21(22)17-19-12-8-5-9-13-19/h4-13,20,22H,2-3,14,17H2,1H3
InChIKeyYEEZXXNAPGUXKN-UHFFFAOYSA-N
XLogP4.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.49
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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Related Compounds

(3S)-N-benzyl-1-phenyl-N-prop-2-enylhept-1-yn-3-amine
CID 15527138
N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine
CID 102461679
[3-butyl-4,5-dimethylidene-6-(2-phenylethynyl)dec-1-ynyl]benzene
CID 12964189
1-benzyl-3-phenyl-1-(1-phenylhex-1-yn-3-yl)urea
CID 53388250
N,N-diethyl-1,4-diphenylbut-3-yn-2-amine
CID 23239570
(3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine
CID 11473957
ethyl 2-(dibenzylamino)-4-phenylbut-3-ynoate
CID 86069558
3-fluorohex-1-ynylbenzene
CID 135044273
N,N-dibenzyl-4-ethyl-1-phenylhex-1-yn-3-amine
CID 102105141
(3S)-1,5-diphenylpent-1-yn-3-ol
CID 54756336
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
(3S,5R)-1-phenylundec-1-yne-3,5-diol
CID 101380795

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine?
The IUPAC name of N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine (CID 101462784) is N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine.
What is the SMILES notation for N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine?
The canonical SMILES for N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine is CCCCC(C#Cc1ccccc1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine?
The InChIKey is YEEZXXNAPGUXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-2-3-14-20(16-15-18-10-6-4-7-11-18)21(22)17-19-12-8-5-9-13-19/h4-13,20,22H,2-3,14,17H2,1H3.
What are the key properties of N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine?
N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine has a molecular weight of 293.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine is sourced from PubChem (CID 101462784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).