N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide

C17H26N4O4 — CID 122571358

IUPACN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide
SMILESCc1ccc(C(CNC(=O)N2CCCNC(=O)C2)N2CCOCC2)o1
InChIInChI=1S/C17H26N4O4/c1-13-3-4-15(25-13)14(20-7-9-24-10-8-20)11-19-17(23)21-6-2-5-18-16(22)12-21/h3-4,14H,2,5-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyCJTXCQDHGQIHCP-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.49
Rot. Bonds4

About N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide (PubChem CID 122571358) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide
PubChem CID122571358
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide
SMILESCc1ccc(C(CNC(=O)N2CCCNC(=O)C2)N2CCOCC2)o1
InChIInChI=1S/C17H26N4O4/c1-13-3-4-15(25-13)14(20-7-9-24-10-8-20)11-19-17(23)21-6-2-5-18-16(22)12-21/h3-4,14H,2,5-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyCJTXCQDHGQIHCP-UHFFFAOYSA-N
XLogP0.49
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 125446463
4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide
CID 55911635
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 97071225
1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119837797
(2S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 94180518
1-(4-fluorophenyl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30037330
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide (CID 122571358) is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide is Cc1ccc(C(CNC(=O)N2CCCNC(=O)C2)N2CCOCC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is CJTXCQDHGQIHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-13-3-4-15(25-13)14(20-7-9-24-10-8-20)11-19-17(23)21-6-2-5-18-16(22)12-21/h3-4,14H,2,5-12H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide?
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 122571358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).