N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine

C15H23NO3 — CID 166843275

IUPACN-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine
SMILESC=CC[C@H](COCc1ccccc1)OCCCNO
InChIInChI=1S/C15H23NO3/c1-2-7-15(19-11-6-10-16-17)13-18-12-14-8-4-3-5-9-14/h2-5,8-9,15-17H,1,6-7,10-13H2/t15-/m1/s1
InChIKeyVKUFIMGMQZTUOL-OAHLLOKOSA-N
MW265.35 g/mol
LogP2.53
Rot. Bonds11

About N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine

N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine (PubChem CID 166843275) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine
PubChem CID166843275
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine
SMILESC=CC[C@H](COCc1ccccc1)OCCCNO
InChIInChI=1S/C15H23NO3/c1-2-7-15(19-11-6-10-16-17)13-18-12-14-8-4-3-5-9-14/h2-5,8-9,15-17H,1,6-7,10-13H2/t15-/m1/s1
InChIKeyVKUFIMGMQZTUOL-OAHLLOKOSA-N
XLogP2.53
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine 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

ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde
CID 144540878
N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine
CID 144540879
methyl 4-(3-phenylmethoxypropoxy)hept-6-enoate
CID 19874730
[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate
CID 10514563
N-benzyl-2-(1-phenylmethoxypent-4-en-2-yloxy)ethanimine oxide
CID 14979664
[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene
CID 42611473
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
[(2R)-2-(octadecoxymethyl)pent-4-enoxy]methylbenzene;(2R)-2-(phenylmethoxymethyl)pent-4-en-1-ol
CID 163839526
1-phenylmethoxypent-4-en-2-ylhydrazine
CID 131026578
(2R,3S)-4-phenylmethoxy-2-prop-2-enylbutane-1,3-diol
CID 13355189
[(3R)-3-pent-4-enoxyhex-5-enyl]benzene
CID 134882651
[(2S)-3-methoxy-2-octadecoxypropoxy]methylbenzene
CID 167022005

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine?
The IUPAC name of N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine (CID 166843275) is N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine.
What is the SMILES notation for N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine?
The canonical SMILES for N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine is C=CC[C@H](COCc1ccccc1)OCCCNO.
What is the InChIKey of N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine?
The InChIKey is VKUFIMGMQZTUOL-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-7-15(19-11-6-10-16-17)13-18-12-14-8-4-3-5-9-14/h2-5,8-9,15-17H,1,6-7,10-13H2/t15-/m1/s1.
What are the key properties of N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine?
N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine has a molecular weight of 265.35 g/mol, XLogP of 2.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine is sourced from PubChem (CID 166843275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).