CID 11059984

C25H34NO — CID 11059984

IUPAC—
SMILESCCCCCC#C[C@@H](C(C)C)N(C[C]1[CH][CH][CH][CH]1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C25H34NO/c1-4-5-6-7-11-18-24(21(2)3)26(19-22-14-12-13-15-22)25(20-27)23-16-9-8-10-17-23/h8-10,12-17,21,24-25,27H,4-7,19-20H2,1-3H3/t24-,25-/m0/s1
InChIKeyZXWLCNWETKVHNA-DQEYMECFSA-N
MW364.55 g/mol
LogP5.04
Rot. Bonds10

About CID 11059984

CID 11059984 (PubChem CID 11059984) has the molecular formula C25H34NO and a molecular weight of 364.55 g/mol.

Molecular Properties

Compound NameCID 11059984
PubChem CID11059984
Molecular FormulaC25H34NO
Molecular Weight364.55 g/mol
Exact Mass364.26
IUPAC Name—
SMILESCCCCCC#C[C@@H](C(C)C)N(C[C]1[CH][CH][CH][CH]1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C25H34NO/c1-4-5-6-7-11-18-24(21(2)3)26(19-22-14-12-13-15-22)25(20-27)23-16-9-8-10-17-23/h8-10,12-17,21,24-25,27H,4-7,19-20H2,1-3H3/t24-,25-/m0/s1
InChIKeyZXWLCNWETKVHNA-DQEYMECFSA-N
XLogP5.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.55
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze CID 11059984 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11059983
CID 11059983
CID 10815533
CID 10815533
(2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol
CID 10937008
N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine
CID 132581027
(2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol
CID 10567884
ethyl N-methyl-N-(1-phenylnon-2-ynyl)carbamate
CID 71697749
2-methyldec-3-ynylbenzene
CID 102174838
methyl 1-phenyloct-2-ynyl carbonate
CID 11054408
pentadec-2-ynyl(triphenyl)phosphanium
CID 21293733
(1S,2S)-N,N-dimethyl-1-phenyl-1-phenylsulfanyloct-3-yn-2-amine
CID 134959711
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273

Frequently Asked Questions

What is the IUPAC name of CID 11059984?
The IUPAC name of CID 11059984 (CID 11059984) is not available.
What is the SMILES notation for CID 11059984?
The canonical SMILES for CID 11059984 is CCCCCC#C[C@@H](C(C)C)N(C[C]1[CH][CH][CH][CH]1)[C@@H](CO)c1ccccc1.
What is the InChIKey of CID 11059984?
The InChIKey is ZXWLCNWETKVHNA-DQEYMECFSA-N. The full InChI is InChI=1S/C25H34NO/c1-4-5-6-7-11-18-24(21(2)3)26(19-22-14-12-13-15-22)25(20-27)23-16-9-8-10-17-23/h8-10,12-17,21,24-25,27H,4-7,19-20H2,1-3H3/t24-,25-/m0/s1.
What are the key properties of CID 11059984?
CID 11059984 has a molecular weight of 364.55 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11059984 is sourced from PubChem (CID 11059984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).