(Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one

C27H43NO — CID 170312674

IUPAC(Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one
SMILESC=CNC(C(=O)CCCCCCC/C=C\CCCCCCCC)c1ccccc1
InChIInChI=1S/C27H43NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(29)27(28-4-2)25-22-19-18-20-23-25/h4,11-12,18-20,22-23,27-28H,2-3,5-10,13-17,21,24H2,1H3/b12-11-
InChIKeyYEQSGCHRWUFRHO-QXMHVHEDSA-N
MW397.65 g/mol
LogP8.07
Rot. Bonds19

About (Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one

(Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one (PubChem CID 170312674) has the molecular formula C27H43NO and a molecular weight of 397.65 g/mol. Its IUPAC name is (Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one.

Molecular Properties

Compound Name(Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one
PubChem CID170312674
Molecular FormulaC27H43NO
Molecular Weight397.65 g/mol
Exact Mass397.33
IUPAC Name(Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one
SMILESC=CNC(C(=O)CCCCCCC/C=C\CCCCCCCC)c1ccccc1
InChIInChI=1S/C27H43NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(29)27(28-4-2)25-22-19-18-20-23-25/h4,11-12,18-20,22-23,27-28H,2-3,5-10,13-17,21,24H2,1H3/b12-11-
InChIKeyYEQSGCHRWUFRHO-QXMHVHEDSA-N
XLogP8.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.65
LogP ≤ 58.07
H-Bond Donors ≤ 51
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

(9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide
CID 71588891
(Z)-octadec-9-enoic acid;styrene
CID 169085427
N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide
CID 74954423
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
(1S,2S)-1-hydroxy-2-methyl-1-phenylnonan-3-one
CID 102384202
1-chloro-1-phenylnonan-2-one
CID 81236884
3-phenyltetradecan-4-one
CID 114968845
1-chloro-1-phenyldecan-2-one
CID 81235866
2,3,4,5,6-pentachlorophenol;(9Z,12Z)-N-(1-phenylethyl)octadeca-9,12-dienamide
CID 90344392

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one?
The IUPAC name of (Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one (CID 170312674) is (Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one.
What is the SMILES notation for (Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one?
The canonical SMILES for (Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one is C=CNC(C(=O)CCCCCCC/C=C\CCCCCCCC)c1ccccc1.
What is the InChIKey of (Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one?
The InChIKey is YEQSGCHRWUFRHO-QXMHVHEDSA-N. The full InChI is InChI=1S/C27H43NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(29)27(28-4-2)25-22-19-18-20-23-25/h4,11-12,18-20,22-23,27-28H,2-3,5-10,13-17,21,24H2,1H3/b12-11-.
What are the key properties of (Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one?
(Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one has a molecular weight of 397.65 g/mol, XLogP of 8.07, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(ethenylamino)-1-phenylnonadec-10-en-2-one is sourced from PubChem (CID 170312674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).