N-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide

C24H29NO2 — CID 23583833

IUPACN-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide
SMILESC=CCCC(=O)N(Cc1ccccc1)[C@@H](C=C)CCOCc1ccccc1
InChIInChI=1S/C24H29NO2/c1-3-5-16-24(26)25(19-21-12-8-6-9-13-21)23(4-2)17-18-27-20-22-14-10-7-11-15-22/h3-4,6-15,23H,1-2,5,16-20H2/t23-/m0/s1
InChIKeyLGUFBPWNTGQQFN-QHCPKHFHSA-N
MW363.50 g/mol
LogP5.14
Rot. Bonds12

About N-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide

N-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide (PubChem CID 23583833) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide.

Molecular Properties

Compound NameN-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide
PubChem CID23583833
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC NameN-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide
SMILESC=CCCC(=O)N(Cc1ccccc1)[C@@H](C=C)CCOCc1ccccc1
InChIInChI=1S/C24H29NO2/c1-3-5-16-24(26)25(19-21-12-8-6-9-13-21)23(4-2)17-18-27-20-22-14-10-7-11-15-22/h3-4,6-15,23H,1-2,5,16-20H2/t23-/m0/s1
InChIKeyLGUFBPWNTGQQFN-QHCPKHFHSA-N
XLogP5.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-phenylmethoxyethyl)hept-6-en-2-one
CID 102459142
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
[(3S,4R)-4-methyl-1-phenylmethoxyhex-5-en-3-yl] acetate
CID 15942144
(4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one
CID 134968478
(3R)-6-phenylmethoxyhex-1-en-3-ol
CID 23649849
(4S)-1-phenylmethoxynon-8-en-4-ol
CID 71377063
4-(2-phenylmethoxyethyl)hex-5-enal
CID 139530154
4-methyl-6-phenylmethoxyhex-1-en-3-one
CID 175450256
2-hydroxy-4-phenylmethoxybutanal
CID 130035859
prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate
CID 54266067
ethyl 2-[benzyl(pent-4-enoyl)amino]acetate
CID 78917941
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide?
The IUPAC name of N-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide (CID 23583833) is N-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide.
What is the SMILES notation for N-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide?
The canonical SMILES for N-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide is C=CCCC(=O)N(Cc1ccccc1)[C@@H](C=C)CCOCc1ccccc1.
What is the InChIKey of N-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide?
The InChIKey is LGUFBPWNTGQQFN-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H29NO2/c1-3-5-16-24(26)25(19-21-12-8-6-9-13-21)23(4-2)17-18-27-20-22-14-10-7-11-15-22/h3-4,6-15,23H,1-2,5,16-20H2/t23-/m0/s1.
What are the key properties of N-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide?
N-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide has a molecular weight of 363.50 g/mol, XLogP of 5.14, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3R)-5-phenylmethoxypent-1-en-3-yl]pent-4-enamide is sourced from PubChem (CID 23583833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).