pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate

C25H28N2O4 — CID 150619709

IUPACpyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate
SMILESCOCCCOc1ccc(-c2ccc(C(C)(C)NC(=O)Oc3cccnc3)cc2)cc1
InChIInChI=1S/C25H28N2O4/c1-25(2,27-24(28)31-23-6-4-15-26-18-23)21-11-7-19(8-12-21)20-9-13-22(14-10-20)30-17-5-16-29-3/h4,6-15,18H,5,16-17H2,1-3H3,(H,27,28)
InChIKeyIVQIPWDTLVVUHP-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.19
Rot. Bonds9

About pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate

pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate (PubChem CID 150619709) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Namepyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate
PubChem CID150619709
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Namepyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate
SMILESCOCCCOc1ccc(-c2ccc(C(C)(C)NC(=O)Oc3cccnc3)cc2)cc1
InChIInChI=1S/C25H28N2O4/c1-25(2,27-24(28)31-23-6-4-15-26-18-23)21-11-7-19(8-12-21)20-9-13-22(14-10-20)30-17-5-16-29-3/h4,6-15,18H,5,16-17H2,1-3H3,(H,27,28)
InChIKeyIVQIPWDTLVVUHP-UHFFFAOYSA-N
XLogP5.19
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-3-yl N-[2-[4-[4-(3-cyanopropoxy)phenyl]phenyl]propan-2-yl]carbamate
CID 151907426
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 110442879
2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid
CID 90046992
2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid
CID 151277131
N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858349
methyl 4-[[[4-[4-(3-methoxypropoxy)phenyl]benzoyl]amino]carbamoyl]benzoate
CID 20655642
2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 110407721
3-(3-phenoxypropoxy)pyridine
CID 86195847
2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid
CID 114990589
N-(1-amino-2-methylpropan-2-yl)-3-pyridin-3-yloxypropanamide
CID 110834154
2-[3-(4-tert-butylphenoxy)propoxy]-N-methylbenzamide
CID 52586623
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate?
The IUPAC name of pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate (CID 150619709) is pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate.
What is the SMILES notation for pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate?
The canonical SMILES for pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate is COCCCOc1ccc(-c2ccc(C(C)(C)NC(=O)Oc3cccnc3)cc2)cc1.
What is the InChIKey of pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate?
The InChIKey is IVQIPWDTLVVUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-25(2,27-24(28)31-23-6-4-15-26-18-23)21-11-7-19(8-12-21)20-9-13-22(14-10-20)30-17-5-16-29-3/h4,6-15,18H,5,16-17H2,1-3H3,(H,27,28).
What are the key properties of pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate?
pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate has a molecular weight of 420.51 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate is sourced from PubChem (CID 150619709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).