CID 170598419

C18H42N3O2P — CID 170598419

IUPAC—
SMILESNCCCCC(=O)NCCCCCCCCCCCCCO.NP
InChIInChI=1S/C18H38N2O2.H4NP/c19-15-11-10-14-18(22)20-16-12-8-6-4-2-1-3-5-7-9-13-17-21;1-2/h21H,1-17,19H2,(H,20,22);1-2H2
InChIKeyYAAQAVIYGQLYLF-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.25
Rot. Bonds17

About CID 170598419

CID 170598419 (PubChem CID 170598419) has the molecular formula C18H42N3O2P and a molecular weight of 363.53 g/mol.

Molecular Properties

Compound NameCID 170598419
PubChem CID170598419
Molecular FormulaC18H42N3O2P
Molecular Weight363.53 g/mol
Exact Mass363.30
IUPAC Name—
SMILESNCCCCC(=O)NCCCCCCCCCCCCCO.NP
InChIInChI=1S/C18H38N2O2.H4NP/c19-15-11-10-14-18(22)20-16-12-8-6-4-2-1-3-5-7-9-13-17-21;1-2/h21H,1-17,19H2,(H,20,22);1-2H2
InChIKeyYAAQAVIYGQLYLF-UHFFFAOYSA-N
XLogP3.25
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
N-(9-aminononyl)nonanamide
CID 154091260
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
6-amino-N-(4-sulfanylbutyl)hexanamide
CID 162689311
N-(4-aminobutyl)tetracosanamide
CID 171117181

Frequently Asked Questions

What is the IUPAC name of CID 170598419?
The IUPAC name of CID 170598419 (CID 170598419) is not available.
What is the SMILES notation for CID 170598419?
The canonical SMILES for CID 170598419 is NCCCCC(=O)NCCCCCCCCCCCCCO.NP.
What is the InChIKey of CID 170598419?
The InChIKey is YAAQAVIYGQLYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2.H4NP/c19-15-11-10-14-18(22)20-16-12-8-6-4-2-1-3-5-7-9-13-17-21;1-2/h21H,1-17,19H2,(H,20,22);1-2H2.
What are the key properties of CID 170598419?
CID 170598419 has a molecular weight of 363.53 g/mol, XLogP of 3.25, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170598419 is sourced from PubChem (CID 170598419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).