N-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide

C30H32N2O5 — CID 162645135

IUPACN-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(COc2cccc3c4c(c(C(=O)N5CCOCC5)cc23)CCC(C)(C)O4)cc1
InChIInChI=1S/C30H32N2O5/c1-4-27(33)31-21-10-8-20(9-11-21)19-36-26-7-5-6-22-24(26)18-25(29(34)32-14-16-35-17-15-32)23-12-13-30(2,3)37-28(22)23/h4-11,18H,1,12-17,19H2,2-3H3,(H,31,33)
InChIKeyHHXFIVKTTOGIHM-UHFFFAOYSA-N
MW500.60 g/mol
LogP5.12
Rot. Bonds6

About N-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide

N-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide (PubChem CID 162645135) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is N-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide
PubChem CID162645135
Molecular FormulaC30H32N2O5
Molecular Weight500.60 g/mol
Exact Mass500.23
IUPAC NameN-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(COc2cccc3c4c(c(C(=O)N5CCOCC5)cc23)CCC(C)(C)O4)cc1
InChIInChI=1S/C30H32N2O5/c1-4-27(33)31-21-10-8-20(9-11-21)19-36-26-7-5-6-22-24(26)18-25(29(34)32-14-16-35-17-15-32)23-12-13-30(2,3)37-28(22)23/h4-11,18H,1,12-17,19H2,2-3H3,(H,31,33)
InChIKeyHHXFIVKTTOGIHM-UHFFFAOYSA-N
XLogP5.12
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide 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-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide (CID 162645135) is N-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(COc2cccc3c4c(c(C(=O)N5CCOCC5)cc23)CCC(C)(C)O4)cc1.
What is the InChIKey of N-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide?
The InChIKey is HHXFIVKTTOGIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O5/c1-4-27(33)31-21-10-8-20(9-11-21)19-36-26-7-5-6-22-24(26)18-25(29(34)32-14-16-35-17-15-32)23-12-13-30(2,3)37-28(22)23/h4-11,18H,1,12-17,19H2,2-3H3,(H,31,33).
What are the key properties of N-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide?
N-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide has a molecular weight of 500.60 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2,2-dimethyl-5-(morpholine-4-carbonyl)-3,4-dihydrobenzo[h]chromen-7-yl]oxymethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 162645135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).