CID 67677034

C23H40NO6P — CID 67677034

IUPAC—
SMILESCCCCCCC(CO)NC(=O)CCCCC.O=P(=O)C(O)COCc1ccccc1
InChIInChI=1S/C14H29NO2.C9H11O4P/c1-3-5-7-9-10-13(12-16)15-14(17)11-8-6-4-2;10-9(14(11)12)7-13-6-8-4-2-1-3-5-8/h13,16H,3-12H2,1-2H3,(H,15,17);1-5,9-10H,6-7H2
InChIKeyODTWNIFHEXNBSV-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.71
Rot. Bonds16

About CID 67677034

CID 67677034 (PubChem CID 67677034) has the molecular formula C23H40NO6P and a molecular weight of 457.55 g/mol.

Molecular Properties

Compound NameCID 67677034
PubChem CID67677034
Molecular FormulaC23H40NO6P
Molecular Weight457.55 g/mol
Exact Mass457.26
IUPAC Name—
SMILESCCCCCCC(CO)NC(=O)CCCCC.O=P(=O)C(O)COCc1ccccc1
InChIInChI=1S/C14H29NO2.C9H11O4P/c1-3-5-7-9-10-13(12-16)15-14(17)11-8-6-4-2;10-9(14(11)12)7-13-6-8-4-2-1-3-5-8/h13,16H,3-12H2,1-2H3,(H,15,17);1-5,9-10H,6-7H2
InChIKeyODTWNIFHEXNBSV-UHFFFAOYSA-N
XLogP4.71
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 67677271
CID 67677271
N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium
CID 159166605
CID 67676733
CID 67676733
[(2R)-3-phenylmethoxy-2-(tetradecanoylamino)propyl] (3R)-3-hydroxydecanoate
CID 59055156
[1-[(1-hydroxy-3-phenylmethoxypropan-2-yl)amino]-1-oxotetradecan-3-yl] tetradecanoate
CID 22053231
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
tetradecyl (2S)-2-(hexadecanoylamino)-3-phenylmethoxypropanoate
CID 156633534
N-[(2S,3S,4R)-1,3,4-tris(phenylmethoxy)octadecan-2-yl]tetracosanamide
CID 10373645
N-[(2S)-1-hydroxyoctadecan-2-yl]-31-oxotetratetracontanamide
CID 57043708
N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide
CID 54249823

Frequently Asked Questions

What is the IUPAC name of CID 67677034?
The IUPAC name of CID 67677034 (CID 67677034) is not available.
What is the SMILES notation for CID 67677034?
The canonical SMILES for CID 67677034 is CCCCCCC(CO)NC(=O)CCCCC.O=P(=O)C(O)COCc1ccccc1.
What is the InChIKey of CID 67677034?
The InChIKey is ODTWNIFHEXNBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2.C9H11O4P/c1-3-5-7-9-10-13(12-16)15-14(17)11-8-6-4-2;10-9(14(11)12)7-13-6-8-4-2-1-3-5-8/h13,16H,3-12H2,1-2H3,(H,15,17);1-5,9-10H,6-7H2.
What are the key properties of CID 67677034?
CID 67677034 has a molecular weight of 457.55 g/mol, XLogP of 4.71, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67677034 is sourced from PubChem (CID 67677034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).