N-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide

C30H35N5O — CID 44819701

IUPACN-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide
SMILESO=C(CCCCCCCCn1cc(-c2cccnc2)nn1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H35N5O/c36-30(32-23-28(25-14-7-5-8-15-25)26-16-9-6-10-17-26)19-11-3-1-2-4-12-21-35-24-29(33-34-35)27-18-13-20-31-22-27/h5-10,13-18,20,22,24,28H,1-4,11-12,19,21,23H2,(H,32,36)
InChIKeyJZXXPKFXFYUXAD-UHFFFAOYSA-N
MW481.64 g/mol
LogP6.02
Rot. Bonds14

About N-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide

N-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide (PubChem CID 44819701) has the molecular formula C30H35N5O and a molecular weight of 481.64 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide
PubChem CID44819701
Molecular FormulaC30H35N5O
Molecular Weight481.64 g/mol
Exact Mass481.28
IUPAC NameN-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide
SMILESO=C(CCCCCCCCn1cc(-c2cccnc2)nn1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H35N5O/c36-30(32-23-28(25-14-7-5-8-15-25)26-16-9-6-10-17-26)19-11-3-1-2-4-12-21-35-24-29(33-34-35)27-18-13-20-31-22-27/h5-10,13-18,20,22,24,28H,1-4,11-12,19,21,23H2,(H,32,36)
InChIKeyJZXXPKFXFYUXAD-UHFFFAOYSA-N
XLogP6.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 56.02
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-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide?
The IUPAC name of N-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide (CID 44819701) is N-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide?
The canonical SMILES for N-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide is O=C(CCCCCCCCn1cc(-c2cccnc2)nn1)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide?
The InChIKey is JZXXPKFXFYUXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O/c36-30(32-23-28(25-14-7-5-8-15-25)26-16-9-6-10-17-26)19-11-3-1-2-4-12-21-35-24-29(33-34-35)27-18-13-20-31-22-27/h5-10,13-18,20,22,24,28H,1-4,11-12,19,21,23H2,(H,32,36).
What are the key properties of N-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide?
N-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide has a molecular weight of 481.64 g/mol, XLogP of 6.02, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide is sourced from PubChem (CID 44819701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).