N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

C30H30N4O3 — CID 134474963

IUPACN-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESCN(C)c1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1
InChIInChI=1S/C30H30N4O3/c1-34(2)27-8-3-5-21(17-27)19-32-29(36)26-7-4-6-25(18-26)28(20-35)33-30(37)24-11-9-22(10-12-24)23-13-15-31-16-14-23/h3-18,28,35H,19-20H2,1-2H3,(H,32,36)(H,33,37)/t28-/m1/s1
InChIKeyYSCICSHOCDXCAS-MUUNZHRXSA-N
MW494.60 g/mol
LogP4.21
Rot. Bonds9

About N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 134474963) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
PubChem CID134474963
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESCN(C)c1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1
InChIInChI=1S/C30H30N4O3/c1-34(2)27-8-3-5-21(17-27)19-32-29(36)26-7-4-6-25(18-26)28(20-35)33-30(37)24-11-9-22(10-12-24)23-13-15-31-16-14-23/h3-18,28,35H,19-20H2,1-2H3,(H,32,36)(H,33,37)/t28-/m1/s1
InChIKeyYSCICSHOCDXCAS-MUUNZHRXSA-N
XLogP4.21
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (CID 134474963) is N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is CN(C)c1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is YSCICSHOCDXCAS-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-34(2)27-8-3-5-21(17-27)19-32-29(36)26-7-4-6-25(18-26)28(20-35)33-30(37)24-11-9-22(10-12-24)23-13-15-31-16-14-23/h3-18,28,35H,19-20H2,1-2H3,(H,32,36)(H,33,37)/t28-/m1/s1.
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 494.60 g/mol, XLogP of 4.21, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 134474963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).