ethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate

C30H38N4O5 — CID 59379852

IUPACethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate
SMILESCCOC(=O)NN(C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C30H38N4O5/c1-5-38-29(36)32-34(23-10-8-9-22(21-23)30(2,3)4)28(35)31-26-13-14-27(25-12-7-6-11-24(25)26)39-20-17-33-15-18-37-19-16-33/h6-14,21H,5,15-20H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyGSQQDKXBALAKFU-UHFFFAOYSA-N
MW534.66 g/mol
LogP5.55
Rot. Bonds7

About ethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate

ethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate (PubChem CID 59379852) has the molecular formula C30H38N4O5 and a molecular weight of 534.66 g/mol. Its IUPAC name is ethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate.

Molecular Properties

Compound Nameethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate
PubChem CID59379852
Molecular FormulaC30H38N4O5
Molecular Weight534.66 g/mol
Exact Mass534.28
IUPAC Nameethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate
SMILESCCOC(=O)NN(C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C30H38N4O5/c1-5-38-29(36)32-34(23-10-8-9-22(21-23)30(2,3)4)28(35)31-26-13-14-27(25-12-7-6-11-24(25)26)39-20-17-33-15-18-37-19-16-33/h6-14,21H,5,15-20H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyGSQQDKXBALAKFU-UHFFFAOYSA-N
XLogP5.55
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate with MolForge

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Related Compounds

[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
4-(dimethylamino)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553215
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44588777
1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11409584
1-[3-bromo-5-tert-butyl-2-[ethyl(morpholin-4-yl)amino]phenyl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 91075191
methyl 5-tert-butyl-1-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylate
CID 18406693
2-(5-tert-butyl-2-methoxy-3-nitrophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 57418855
3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 70834420
5-tert-butyl-2-methoxy-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-nitrobenzamide
CID 57419061
5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide
CID 18406650
ethyl N-[[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyanilino]-1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoethylidene]amino]carbamate
CID 90794440
4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553258

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate?
The IUPAC name of ethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate (CID 59379852) is ethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate.
What is the SMILES notation for ethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate?
The canonical SMILES for ethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate is CCOC(=O)NN(C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cccc(C(C)(C)C)c1.
What is the InChIKey of ethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate?
The InChIKey is GSQQDKXBALAKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O5/c1-5-38-29(36)32-34(23-10-8-9-22(21-23)30(2,3)4)28(35)31-26-13-14-27(25-12-7-6-11-24(25)26)39-20-17-33-15-18-37-19-16-33/h6-14,21H,5,15-20H2,1-4H3,(H,31,35)(H,32,36).
What are the key properties of ethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate?
ethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate has a molecular weight of 534.66 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-tert-butyl-N-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoyl]anilino]carbamate is sourced from PubChem (CID 59379852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).