5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide

C27H35N5O4 — CID 18406650

IUPAC5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C27H35N5O4/c1-27(2,3)23-17-21(24(31-23)25(33)28-4)30-26(34)29-20-9-10-22(19-8-6-5-7-18(19)20)36-16-13-32-11-14-35-15-12-32/h5-10,17,31H,11-16H2,1-4H3,(H,28,33)(H2,29,30,34)
InChIKeyVSNYNOHBCOGJTN-UHFFFAOYSA-N
MW493.61 g/mol
LogP4.18
Rot. Bonds7

About 5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide

5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide (PubChem CID 18406650) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide
PubChem CID18406650
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC Name5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C27H35N5O4/c1-27(2,3)23-17-21(24(31-23)25(33)28-4)30-26(34)29-20-9-10-22(19-8-6-5-7-18(19)20)36-16-13-32-11-14-35-15-12-32/h5-10,17,31H,11-16H2,1-4H3,(H,28,33)(H2,29,30,34)
InChIKeyVSNYNOHBCOGJTN-UHFFFAOYSA-N
XLogP4.18
TPSA107.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-N-methyl-3-[[4-(3-pyridin-4-ylpropoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide
CID 18406723
5-tert-butyl-N-methyl-3-[[4-[2-(1-oxothiolan-3-yl)ethoxy]naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide
CID 18406731
methyl 5-tert-butyl-1-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylate
CID 18406693
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11409584
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44588777
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
N-[4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]phenyl]acetamide
CID 11731461
1-[3-tert-butyl-1-[3-(oxan-4-ylamino)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 22379829
4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553360
4-(dimethylamino)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553215
5-tert-butyl-2-methoxy-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-nitrobenzamide
CID 57419061

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide (CID 18406650) is 5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide is CNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of 5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide?
The InChIKey is VSNYNOHBCOGJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-27(2,3)23-17-21(24(31-23)25(33)28-4)30-26(34)29-20-9-10-22(19-8-6-5-7-18(19)20)36-16-13-32-11-14-35-15-12-32/h5-10,17,31H,11-16H2,1-4H3,(H,28,33)(H2,29,30,34).
What are the key properties of 5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide?
5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 4.18, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18406650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).