(3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol

C23H31NO — CID 10893099

IUPAC(3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol
SMILESC=C[C@@H]([C@H](O)CCCCCCC)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO/c1-3-5-6-7-14-19-23(25)22(4-2)24(20-15-10-8-11-16-20)21-17-12-9-13-18-21/h4,8-13,15-18,22-23,25H,2-3,5-7,14,19H2,1H3/t22-,23+/m0/s1
InChIKeyJKUHZNFXHBRLSO-XZOQPEGZSA-N
MW337.51 g/mol
LogP6.10
Rot. Bonds11

About (3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol

(3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol (PubChem CID 10893099) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is (3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol
PubChem CID10893099
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name(3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol
SMILESC=C[C@@H]([C@H](O)CCCCCCC)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO/c1-3-5-6-7-14-19-23(25)22(4-2)24(20-15-10-8-11-16-20)21-17-12-9-13-18-21/h4,8-13,15-18,22-23,25H,2-3,5-7,14,19H2,1H3/t22-,23+/m0/s1
InChIKeyJKUHZNFXHBRLSO-XZOQPEGZSA-N
XLogP6.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.10
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

(3R,4S)-4-(N-phenylanilino)hexa-1,5-dien-3-ol
CID 10989171
N-nonadecan-10-yl-N-phenylaniline
CID 175110004
(3S,4R)-3-methylundec-1-en-4-ol
CID 10986975
(1R,2R)-2-ethenyl-1-phenyloctan-1-ol
CID 13312187
(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol
CID 135804741
N-hexadecan-4-yl-N-phenylaniline
CID 174670846
(3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol
CID 98040519
(1R)-1-phenyloctan-1-ol
CID 12794259
tridodecyl(1-phenylprop-2-enyl)azanium
CID 87960565
(2-dodec-1-en-3-yloxy-1-phenylethyl)benzene
CID 172735190
1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine
CID 165044391
(3R,4R)-3-methyloct-1-en-4-ol
CID 13087267

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol?
The IUPAC name of (3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol (CID 10893099) is (3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol.
What is the SMILES notation for (3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol?
The canonical SMILES for (3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol is C=C[C@@H]([C@H](O)CCCCCCC)N(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol?
The InChIKey is JKUHZNFXHBRLSO-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H31NO/c1-3-5-6-7-14-19-23(25)22(4-2)24(20-15-10-8-11-16-20)21-17-12-9-13-18-21/h4,8-13,15-18,22-23,25H,2-3,5-7,14,19H2,1H3/t22-,23+/m0/s1.
What are the key properties of (3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol?
(3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol has a molecular weight of 337.51 g/mol, XLogP of 6.10, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol is sourced from PubChem (CID 10893099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).