ethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate

C20H27N3O5 — CID 4857196

IUPACethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(CNCCCN3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C20H27N3O5/c1-2-27-20(25)22-16-4-5-17-15(12-19(24)28-18(17)13-16)14-21-6-3-7-23-8-10-26-11-9-23/h4-5,12-13,21H,2-3,6-11,14H2,1H3,(H,22,25)
InChIKeyPJQKPMRLWBMQDA-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.17
Rot. Bonds8

About ethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate

ethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate (PubChem CID 4857196) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate
PubChem CID4857196
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Nameethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(CNCCCN3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C20H27N3O5/c1-2-27-20(25)22-16-4-5-17-15(12-19(24)28-18(17)13-16)14-21-6-3-7-23-8-10-26-11-9-23/h4-5,12-13,21H,2-3,6-11,14H2,1H3,(H,22,25)
InChIKeyPJQKPMRLWBMQDA-UHFFFAOYSA-N
XLogP2.17
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-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

CID 7050
CID 7050
CID 120014
CID 120014
CID 93302
CID 93302
CID 120061
CID 120061
CID 927433
CID 927433
CID 93864
CID 93864
CID 104338
CID 104338
CID 10435243
CID 10435243
CID 3243384
CID 3243384
CID 647115
CID 647115
CID 648121
CID 648121
CID 659315
CID 659315

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate?
The IUPAC name of ethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate (CID 4857196) is ethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate.
What is the SMILES notation for ethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate?
The canonical SMILES for ethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate is CCOC(=O)Nc1ccc2c(CNCCCN3CCOCC3)cc(=O)oc2c1.
What is the InChIKey of ethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate?
The InChIKey is PJQKPMRLWBMQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-2-27-20(25)22-16-4-5-17-15(12-19(24)28-18(17)13-16)14-21-6-3-7-23-8-10-26-11-9-23/h4-5,12-13,21H,2-3,6-11,14H2,1H3,(H,22,25).
What are the key properties of ethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate?
ethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate has a molecular weight of 389.45 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-7-yl]carbamate is sourced from PubChem (CID 4857196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).