CID 144774618

C27H39NO2 — CID 144774618

IUPAC—
SMILESCCCNCc1ccccc1.C[C@@H]1C(=O)O[C@@H]2C3C(CCC34CC4)C3(CC[C@@H]12)CC3
InChIInChI=1S/C17H24O2.C10H15N/c1-10-11-2-4-16(6-7-16)12-3-5-17(8-9-17)13(12)14(11)19-15(10)18;1-2-8-11-9-10-6-4-3-5-7-10/h10-14H,2-9H2,1H3;3-7,11H,2,8-9H2,1H3/t10-,11-,12?,13?,14-;/m0./s1
InChIKeyNDLSMNKSRVLKDP-UNKPOBRLSA-N
MW409.61 g/mol
LogP5.73
Rot. Bonds4

About CID 144774618

CID 144774618 (PubChem CID 144774618) has the molecular formula C27H39NO2 and a molecular weight of 409.61 g/mol.

Molecular Properties

Compound NameCID 144774618
PubChem CID144774618
Molecular FormulaC27H39NO2
Molecular Weight409.61 g/mol
Exact Mass409.30
IUPAC Name—
SMILESCCCNCc1ccccc1.C[C@@H]1C(=O)O[C@@H]2C3C(CCC34CC4)C3(CC[C@@H]12)CC3
InChIInChI=1S/C17H24O2.C10H15N/c1-10-11-2-4-16(6-7-16)12-3-5-17(8-9-17)13(12)14(11)19-15(10)18;1-2-8-11-9-10-6-4-3-5-7-10/h10-14H,2-9H2,1H3;3-7,11H,2,8-9H2,1H3/t10-,11-,12?,13?,14-;/m0./s1
InChIKeyNDLSMNKSRVLKDP-UNKPOBRLSA-N
XLogP5.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.61
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 144774618?
The IUPAC name of CID 144774618 (CID 144774618) is not available.
What is the SMILES notation for CID 144774618?
The canonical SMILES for CID 144774618 is CCCNCc1ccccc1.C[C@@H]1C(=O)O[C@@H]2C3C(CCC34CC4)C3(CC[C@@H]12)CC3.
What is the InChIKey of CID 144774618?
The InChIKey is NDLSMNKSRVLKDP-UNKPOBRLSA-N. The full InChI is InChI=1S/C17H24O2.C10H15N/c1-10-11-2-4-16(6-7-16)12-3-5-17(8-9-17)13(12)14(11)19-15(10)18;1-2-8-11-9-10-6-4-3-5-7-10/h10-14H,2-9H2,1H3;3-7,11H,2,8-9H2,1H3/t10-,11-,12?,13?,14-;/m0./s1.
What are the key properties of CID 144774618?
CID 144774618 has a molecular weight of 409.61 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144774618 is sourced from PubChem (CID 144774618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).