methyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate

C34H39N5O5 — CID 10145324

IUPACmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cc(C(C)(C)C)cc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c1OC
InChIInChI=1S/C34H39N5O5/c1-34(2,3)23-18-29(31(42-4)30(19-23)38-33(41)43-5)37-32(40)36-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(35-20-22)21-39-14-16-44-17-15-39/h6-13,18-20H,14-17,21H2,1-5H3,(H,38,41)(H2,36,37,40)
InChIKeyVLUCNFRLUIUWDG-UHFFFAOYSA-N
MW597.72 g/mol
LogP6.86
Rot. Bonds7

About methyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate

methyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate (PubChem CID 10145324) has the molecular formula C34H39N5O5 and a molecular weight of 597.72 g/mol. Its IUPAC name is methyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate
PubChem CID10145324
Molecular FormulaC34H39N5O5
Molecular Weight597.72 g/mol
Exact Mass597.30
IUPAC Namemethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cc(C(C)(C)C)cc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c1OC
InChIInChI=1S/C34H39N5O5/c1-34(2,3)23-18-29(31(42-4)30(19-23)38-33(41)43-5)37-32(40)36-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(35-20-22)21-39-14-16-44-17-15-39/h6-13,18-20H,14-17,21H2,1-5H3,(H,38,41)(H2,36,37,40)
InChIKeyVLUCNFRLUIUWDG-UHFFFAOYSA-N
XLogP6.86
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.72
LogP ≤ 56.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate 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 methyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate?
The IUPAC name of methyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate (CID 10145324) is methyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate is COC(=O)Nc1cc(C(C)(C)C)cc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c1OC.
What is the InChIKey of methyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate?
The InChIKey is VLUCNFRLUIUWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N5O5/c1-34(2,3)23-18-29(31(42-4)30(19-23)38-33(41)43-5)37-32(40)36-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(35-20-22)21-39-14-16-44-17-15-39/h6-13,18-20H,14-17,21H2,1-5H3,(H,38,41)(H2,36,37,40).
What are the key properties of methyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate?
methyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate has a molecular weight of 597.72 g/mol, XLogP of 6.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate is sourced from PubChem (CID 10145324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).