N-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide

C18H17NO — CID 102245919

IUPACN-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide
SMILESC=C=CN(C(=O)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C18H17NO/c1-3-14-19(15(2)16-10-6-4-7-11-16)18(20)17-12-8-5-9-13-17/h4-15H,1H2,2H3/t15-/m0/s1
InChIKeyZVDUYJKRSIYTRG-HNNXBMFYSA-N
MW263.34 g/mol
LogP4.19
Rot. Bonds4

About N-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide

N-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide (PubChem CID 102245919) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide
PubChem CID102245919
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide
SMILESC=C=CN(C(=O)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C18H17NO/c1-3-14-19(15(2)16-10-6-4-7-11-16)18(20)17-12-8-5-9-13-17/h4-15H,1H2,2H3/t15-/m0/s1
InChIKeyZVDUYJKRSIYTRG-HNNXBMFYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-hydroxy-N-(1-phenylethyl)benzamide
CID 23260477
N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide
CID 13262498
N-[hydroxy(phenyl)methyl]-N-methylbenzamide
CID 134892565
1-N,4-N-bis[(1R)-1-phenylethyl]-1-N,4-N-bis[4-(2-phenylethynyl)phenyl]benzene-1,4-dicarboxamide
CID 101376470
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide
CID 162689999
N,N-bis[(1R)-1-phenylethyl]prop-2-enamide
CID 12031722
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
methyl 3-[2,2-diphenylethenyl-[(1R)-1-phenylethyl]amino]-3-oxopropanoate
CID 101032642
4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide
CID 162689980
methyl(1-phenylethyl)carbamic acid
CID 67062794

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide (CID 102245919) is N-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide is C=C=CN(C(=O)c1ccccc1)[C@@H](C)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide?
The InChIKey is ZVDUYJKRSIYTRG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17NO/c1-3-14-19(15(2)16-10-6-4-7-11-16)18(20)17-12-8-5-9-13-17/h4-15H,1H2,2H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide?
N-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-N-propa-1,2-dienylbenzamide is sourced from PubChem (CID 102245919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).