N-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide

C30H42N2O4 — CID 143729541

IUPACN-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide
SMILESCOCCCOc1cc(C(=O)N(C(C)C)C2CC23CCCNC3)c(-c2ccccc2)cc1OC(C)C
InChIInChI=1S/C30H42N2O4/c1-21(2)32(28-19-30(28)13-9-14-31-20-30)29(33)25-18-26(35-16-10-15-34-5)27(36-22(3)4)17-24(25)23-11-7-6-8-12-23/h6-8,11-12,17-18,21-22,28,31H,9-10,13-16,19-20H2,1-5H3
InChIKeyBPAHUCHIRAVBJY-UHFFFAOYSA-N
MW494.68 g/mol
LogP5.55
Rot. Bonds11

About N-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide

N-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide (PubChem CID 143729541) has the molecular formula C30H42N2O4 and a molecular weight of 494.68 g/mol. Its IUPAC name is N-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide
PubChem CID143729541
Molecular FormulaC30H42N2O4
Molecular Weight494.68 g/mol
Exact Mass494.31
IUPAC NameN-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide
SMILESCOCCCOc1cc(C(=O)N(C(C)C)C2CC23CCCNC3)c(-c2ccccc2)cc1OC(C)C
InChIInChI=1S/C30H42N2O4/c1-21(2)32(28-19-30(28)13-9-14-31-20-30)29(33)25-18-26(35-16-10-15-34-5)27(36-22(3)4)17-24(25)23-11-7-6-8-12-23/h6-8,11-12,17-18,21-22,28,31H,9-10,13-16,19-20H2,1-5H3
InChIKeyBPAHUCHIRAVBJY-UHFFFAOYSA-N
XLogP5.55
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide?
The IUPAC name of N-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide (CID 143729541) is N-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide is COCCCOc1cc(C(=O)N(C(C)C)C2CC23CCCNC3)c(-c2ccccc2)cc1OC(C)C.
What is the InChIKey of N-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide?
The InChIKey is BPAHUCHIRAVBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O4/c1-21(2)32(28-19-30(28)13-9-14-31-20-30)29(33)25-18-26(35-16-10-15-34-5)27(36-22(3)4)17-24(25)23-11-7-6-8-12-23/h6-8,11-12,17-18,21-22,28,31H,9-10,13-16,19-20H2,1-5H3.
What are the key properties of N-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide?
N-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide has a molecular weight of 494.68 g/mol, XLogP of 5.55, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide is sourced from PubChem (CID 143729541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).