[1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate

C25H29N3O4 — CID 170568659

IUPAC[1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate
SMILESCOc1ccc(CC(COc2cccnc2)OC(=O)NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H29N3O4/c1-28(2)21-10-6-20(7-11-21)16-27-25(29)32-24(18-31-23-5-4-14-26-17-23)15-19-8-12-22(30-3)13-9-19/h4-14,17,24H,15-16,18H2,1-3H3,(H,27,29)
InChIKeySTVZMXCQGWZDBP-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.07
Rot. Bonds10

About [1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate

[1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate (PubChem CID 170568659) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate
PubChem CID170568659
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name[1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate
SMILESCOc1ccc(CC(COc2cccnc2)OC(=O)NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H29N3O4/c1-28(2)21-10-6-20(7-11-21)16-27-25(29)32-24(18-31-23-5-4-14-26-17-23)15-19-8-12-22(30-3)13-9-19/h4-14,17,24H,15-16,18H2,1-3H3,(H,27,29)
InChIKeySTVZMXCQGWZDBP-UHFFFAOYSA-N
XLogP4.07
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze [1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]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

[1-[[5-[1-[[4-(dimethylamino)phenyl]methylcarbamoyloxy]-2-(4-methoxyphenyl)ethoxy]-3-pyridinyl]oxy]-2-(4-methoxyphenyl)ethyl] N-[[4-(dimethylamino)phenyl]methyl]carbamate
CID 164739653
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
[1-[[6-[1-[[4-(dimethylamino)phenyl]methylcarbamoyloxymethoxy]-2-(4-methoxyphenyl)ethoxy]-2-pyridinyl]oxy]-2-(4-methoxyphenyl)ethoxy]methyl N-[[4-(dimethylamino)phenyl]methyl]carbamate
CID 164739724
[1-[3-(dimethylamino)-5-[1-[[4-(dimethylamino)phenyl]methylcarbamoyloxymethoxy]-2-(4-methoxyphenyl)ethoxy]phenoxy]-2-(4-methoxyphenyl)ethoxy]methyl N-[[4-(dimethylamino)phenyl]methyl]carbamate
CID 164739556
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 27888266
N-[[4-(dimethylamino)phenyl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53278903
5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234453
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97347952
2-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329366

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate?
The IUPAC name of [1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate (CID 170568659) is [1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate.
What is the SMILES notation for [1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate?
The canonical SMILES for [1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate is COc1ccc(CC(COc2cccnc2)OC(=O)NCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate?
The InChIKey is STVZMXCQGWZDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-28(2)21-10-6-20(7-11-21)16-27-25(29)32-24(18-31-23-5-4-14-26-17-23)15-19-8-12-22(30-3)13-9-19/h4-14,17,24H,15-16,18H2,1-3H3,(H,27,29).
What are the key properties of [1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate?
[1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate has a molecular weight of 435.52 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-3-pyridin-3-yloxypropan-2-yl] N-[[4-(dimethylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 170568659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).