(2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide

C19H30N2O — CID 138599121

IUPAC(2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide
SMILESCCCCCCCCC(C(C)C)N(C#N)c1ccccc1O
InChIInChI=1S/C19H30N2O/c1-4-5-6-7-8-9-12-17(16(2)3)21(15-20)18-13-10-11-14-19(18)22/h10-11,13-14,16-17,22H,4-9,12H2,1-3H3
InChIKeyHGEFYGPLDVGHNT-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.45
Rot. Bonds10

About (2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide

(2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide (PubChem CID 138599121) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide.

Molecular Properties

Compound Name(2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide
PubChem CID138599121
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide
SMILESCCCCCCCCC(C(C)C)N(C#N)c1ccccc1O
InChIInChI=1S/C19H30N2O/c1-4-5-6-7-8-9-12-17(16(2)3)21(15-20)18-13-10-11-14-19(18)22/h10-11,13-14,16-17,22H,4-9,12H2,1-3H3
InChIKeyHGEFYGPLDVGHNT-UHFFFAOYSA-N
XLogP5.45
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

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CID 66867527
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CID 67178725
2-(2-methyltetradecan-3-yl)phenol
CID 66867142
2-phenoxynonanenitrile
CID 68573362
2-[hexan-2-yl(propyl)amino]phenol
CID 54465777
2-[amino(hexyl)amino]phenol
CID 175507997
2-pentadecan-6-ylphenol
CID 66865451
2-(2-methyltetradecyl)phenol
CID 154276736
(1R)-1-phenyloctan-1-ol
CID 12794259
2-(nonan-2-ylamino)benzonitrile
CID 43129839
2-(1,1,1-trimethoxydecan-2-yl)phenol
CID 150274664
2-(6-propylpentadecan-7-yl)phenol
CID 66865581

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide?
The IUPAC name of (2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide (CID 138599121) is (2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide.
What is the SMILES notation for (2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide?
The canonical SMILES for (2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide is CCCCCCCCC(C(C)C)N(C#N)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide?
The InChIKey is HGEFYGPLDVGHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-5-6-7-8-9-12-17(16(2)3)21(15-20)18-13-10-11-14-19(18)22/h10-11,13-14,16-17,22H,4-9,12H2,1-3H3.
What are the key properties of (2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide?
(2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide has a molecular weight of 302.46 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide is sourced from PubChem (CID 138599121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).