(2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide

C18H33N3O2 — CID 164631827

IUPAC(2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C18H33N3O2/c22-18(19-16-7-3-1-4-8-16)21-10-6-2-5-9-17(21)15-20-11-13-23-14-12-20/h16-17H,1-15H2,(H,19,22)/t17-/m1/s1
InChIKeyFYSDNVXJGOSCOQ-QGZVFWFLSA-N
MW323.48 g/mol
LogP2.61
Rot. Bonds3

About (2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide

(2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide (PubChem CID 164631827) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
PubChem CID164631827
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name(2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C18H33N3O2/c22-18(19-16-7-3-1-4-8-16)21-10-6-2-5-9-17(21)15-20-11-13-23-14-12-20/h16-17H,1-15H2,(H,19,22)/t17-/m1/s1
InChIKeyFYSDNVXJGOSCOQ-QGZVFWFLSA-N
XLogP2.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N'-[3-(4-morpholinyl)propyl]urea
CID 1987766
4-(N-(Cyclohexyl)carbamoyl)morpholine
CID 853662
1-(2-Cyanoethyl)-1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea
CID 172434089
N-cycloheptylmorpholine-4-carboxamide
CID 669639
N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196375
N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196376
2-(morpholin-4-ylmethyl)-N-propan-2-ylazepane-1-carboxamide
CID 110196377
2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide
CID 110196378
N-cyclopentyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 124042351
2-[(4-methoxypiperidin-1-yl)methyl]-N-propylazepane-1-carboxamide
CID 124042371
Urea, N-cyclohexyl-N'-[2-(4-morpholinyl)ethyl]-
CID 1086741
(3S)-N-cyclohexyl-3-methylmorpholine-4-carboxamide
CID 93629551

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide (CID 164631827) is (2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide is O=C(NC1CCCCC1)N1CCCCC[C@@H]1CN1CCOCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The InChIKey is FYSDNVXJGOSCOQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H33N3O2/c22-18(19-16-7-3-1-4-8-16)21-10-6-2-5-9-17(21)15-20-11-13-23-14-12-20/h16-17H,1-15H2,(H,19,22)/t17-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
(2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide is sourced from PubChem (CID 164631827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).