N-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide

C20H23NO2 — CID 169000160

IUPACN-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide
SMILESC=CCC[C@@H](COCc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-2-3-14-19(16-23-15-17-10-6-4-7-11-17)21-20(22)18-12-8-5-9-13-18/h2,4-13,19H,1,3,14-16H2,(H,21,22)/t19-/m0/s1
InChIKeyIGNOBRUEVDUKLW-IBGZPJMESA-N
MW309.41 g/mol
LogP3.97
Rot. Bonds9

About N-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide

N-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide (PubChem CID 169000160) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide
PubChem CID169000160
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide
SMILESC=CCC[C@@H](COCc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-2-3-14-19(16-23-15-17-10-6-4-7-11-17)21-20(22)18-12-8-5-9-13-18/h2,4-13,19H,1,3,14-16H2,(H,21,22)/t19-/m0/s1
InChIKeyIGNOBRUEVDUKLW-IBGZPJMESA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
3-(2-phenylmethoxyethyl)hept-6-en-2-one
CID 102459142
(1-chloro-3-phenylmethoxypropan-2-yl)urea
CID 86055606
(2S)-2-(phenylmethoxycarbonylamino)hex-5-enoic acid
CID 11311574
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
1-phenylmethoxypent-4-en-2-ylhydrazine
CID 131026578
prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate
CID 54266067
(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
CID 12630921
methyl 2-[4,7,10-tris[1-oxo-1,3-bis(phenylmethoxy)propan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]hex-5-enoate
CID 174273398
benzyl 2-methylhex-5-enoate
CID 14713099
prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate
CID 67804121
ethenyl (2S)-2-benzamido-3-phenylpropanoate
CID 90679313

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide (CID 169000160) is N-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide is C=CCC[C@@H](COCc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide?
The InChIKey is IGNOBRUEVDUKLW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-3-14-19(16-23-15-17-10-6-4-7-11-17)21-20(22)18-12-8-5-9-13-18/h2,4-13,19H,1,3,14-16H2,(H,21,22)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide?
N-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide is sourced from PubChem (CID 169000160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).