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

C24H40N4O3 — CID 55911635

IUPAC4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide
SMILESCc1ccc(C(CNC(=O)N2CCCN(CC3CCCCC3)CC2)N2CCOCC2)o1
InChIInChI=1S/C24H40N4O3/c1-20-8-9-23(31-20)22(27-14-16-30-17-15-27)18-25-24(29)28-11-5-10-26(12-13-28)19-21-6-3-2-4-7-21/h8-9,21-22H,2-7,10-19H2,1H3,(H,25,29)
InChIKeyYJGYNLHVMYJQJR-UHFFFAOYSA-N
MW432.61 g/mol
LogP3.26
Rot. Bonds6

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

4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide (PubChem CID 55911635) has the molecular formula C24H40N4O3 and a molecular weight of 432.61 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide
PubChem CID55911635
Molecular FormulaC24H40N4O3
Molecular Weight432.61 g/mol
Exact Mass432.31
IUPAC Name4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide
SMILESCc1ccc(C(CNC(=O)N2CCCN(CC3CCCCC3)CC2)N2CCOCC2)o1
InChIInChI=1S/C24H40N4O3/c1-20-8-9-23(31-20)22(27-14-16-30-17-15-27)18-25-24(29)28-11-5-10-26(12-13-28)19-21-6-3-2-4-7-21/h8-9,21-22H,2-7,10-19H2,1H3,(H,25,29)
InChIKeyYJGYNLHVMYJQJR-UHFFFAOYSA-N
XLogP3.26
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide
CID 55912276
4-cyclopropyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide
CID 97071232
2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119837781
N-[2-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 55649335
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-oxo-1,4-diazepane-1-carboxamide
CID 122571358
(2S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 94180518
1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 97071225
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide
CID 111438592
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119837797
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 125446463

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide (CID 55911635) is 4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide is Cc1ccc(C(CNC(=O)N2CCCN(CC3CCCCC3)CC2)N2CCOCC2)o1.
What is the InChIKey of 4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide?
The InChIKey is YJGYNLHVMYJQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O3/c1-20-8-9-23(31-20)22(27-14-16-30-17-15-27)18-25-24(29)28-11-5-10-26(12-13-28)19-21-6-3-2-4-7-21/h8-9,21-22H,2-7,10-19H2,1H3,(H,25,29).
What are the key properties of 4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide?
4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide has a molecular weight of 432.61 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 55911635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).