N-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen

C27H48N4O4 — CID 143609158

IUPACN-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen
SMILESC/C=C(NC(=O)c1cc(CN2CCOCC2)oc1C)\C(=N/C)C(=O)NC1CCC(C(C)(C)C)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H42N4O4.3H2/c1-7-23(24(28-6)26(33)29-20-10-8-19(9-11-20)27(3,4)5)30-25(32)22-16-21(35-18(22)2)17-31-12-14-34-15-13-31;;;/h7,16,19-20H,8-15,17H2,1-6H3,(H,29,33)(H,30,32);3*1H/b23-7+,28-24+;;;
InChIKeyUDZHRMNUJIATAK-JVEVWICCSA-N
MW492.71 g/mol
LogP4.58
Rot. Bonds7

About N-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen

N-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen (PubChem CID 143609158) has the molecular formula C27H48N4O4 and a molecular weight of 492.71 g/mol. Its IUPAC name is N-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen
PubChem CID143609158
Molecular FormulaC27H48N4O4
Molecular Weight492.71 g/mol
Exact Mass492.37
IUPAC NameN-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen
SMILESC/C=C(NC(=O)c1cc(CN2CCOCC2)oc1C)\C(=N/C)C(=O)NC1CCC(C(C)(C)C)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H42N4O4.3H2/c1-7-23(24(28-6)26(33)29-20-10-8-19(9-11-20)27(3,4)5)30-25(32)22-16-21(35-18(22)2)17-31-12-14-34-15-13-31;;;/h7,16,19-20H,8-15,17H2,1-6H3,(H,29,33)(H,30,32);3*1H/b23-7+,28-24+;;;
InChIKeyUDZHRMNUJIATAK-JVEVWICCSA-N
XLogP4.58
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.71
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen?
The IUPAC name of N-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen (CID 143609158) is N-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen is C/C=C(NC(=O)c1cc(CN2CCOCC2)oc1C)\C(=N/C)C(=O)NC1CCC(C(C)(C)C)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of N-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen?
The InChIKey is UDZHRMNUJIATAK-JVEVWICCSA-N. The full InChI is InChI=1S/C27H42N4O4.3H2/c1-7-23(24(28-6)26(33)29-20-10-8-19(9-11-20)27(3,4)5)30-25(32)22-16-21(35-18(22)2)17-31-12-14-34-15-13-31;;;/h7,16,19-20H,8-15,17H2,1-6H3,(H,29,33)(H,30,32);3*1H/b23-7+,28-24+;;;.
What are the key properties of N-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen?
N-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen has a molecular weight of 492.71 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 143609158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).