1-(N-tetradecoxyanilino)propan-1-ol

C23H41NO2 — CID 174639561

IUPAC1-(N-tetradecoxyanilino)propan-1-ol
SMILESCCCCCCCCCCCCCCON(c1ccccc1)C(O)CC
InChIInChI=1S/C23H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-18-21-26-24(23(25)4-2)22-19-16-15-17-20-22/h15-17,19-20,23,25H,3-14,18,21H2,1-2H3
InChIKeyLDDYMXKDKNPNRJ-UHFFFAOYSA-N
MW363.59 g/mol
LogP6.85
Rot. Bonds17

About 1-(N-tetradecoxyanilino)propan-1-ol

1-(N-tetradecoxyanilino)propan-1-ol (PubChem CID 174639561) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is 1-(N-tetradecoxyanilino)propan-1-ol.

Molecular Properties

Compound Name1-(N-tetradecoxyanilino)propan-1-ol
PubChem CID174639561
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC Name1-(N-tetradecoxyanilino)propan-1-ol
SMILESCCCCCCCCCCCCCCON(c1ccccc1)C(O)CC
InChIInChI=1S/C23H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-18-21-26-24(23(25)4-2)22-19-16-15-17-20-22/h15-17,19-20,23,25H,3-14,18,21H2,1-2H3
InChIKeyLDDYMXKDKNPNRJ-UHFFFAOYSA-N
XLogP6.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-1-tetradecoxyhydrazine
CID 151258188
N-dimethylsilyl-N-tetradecoxyaniline
CID 174478606
2-(N-octoxyanilino)acetic acid
CID 54571565
didecoxy-hydroxy-phenylphosphanium
CID 70413003
octadecoxy(phenyl)methanol
CID 141167921
hydroxy-di(nonoxy)-phenylphosphanium
CID 172838526
nonoxy(phenyl)methanol
CID 70405769
4-(N-tetradecoxyanilino)benzamide
CID 174322917
N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine
CID 59961378
4-(N-tetradecoxyanilino)benzaldehyde
CID 174322421
1-pentoxypropylbenzene
CID 57033372
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843

Frequently Asked Questions

What is the IUPAC name of 1-(N-tetradecoxyanilino)propan-1-ol?
The IUPAC name of 1-(N-tetradecoxyanilino)propan-1-ol (CID 174639561) is 1-(N-tetradecoxyanilino)propan-1-ol.
What is the SMILES notation for 1-(N-tetradecoxyanilino)propan-1-ol?
The canonical SMILES for 1-(N-tetradecoxyanilino)propan-1-ol is CCCCCCCCCCCCCCON(c1ccccc1)C(O)CC.
What is the InChIKey of 1-(N-tetradecoxyanilino)propan-1-ol?
The InChIKey is LDDYMXKDKNPNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-18-21-26-24(23(25)4-2)22-19-16-15-17-20-22/h15-17,19-20,23,25H,3-14,18,21H2,1-2H3.
What are the key properties of 1-(N-tetradecoxyanilino)propan-1-ol?
1-(N-tetradecoxyanilino)propan-1-ol has a molecular weight of 363.59 g/mol, XLogP of 6.85, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-tetradecoxyanilino)propan-1-ol is sourced from PubChem (CID 174639561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).