(4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide

C18H33N3O2 — CID 164638880

IUPAC(4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC[C@H](CN2CCOCC2)CC1
InChIInChI=1S/C18H33N3O2/c22-18(19-17-6-2-1-3-7-17)21-9-4-5-16(8-10-21)15-20-11-13-23-14-12-20/h16-17H,1-15H2,(H,19,22)/t16-/m0/s1
InChIKeyVFCKWEUKSKSTOD-INIZCTEOSA-N
MW323.48 g/mol
LogP2.46
Rot. Bonds3

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

(4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide (PubChem CID 164638880) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is (4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide.

Molecular Properties

Compound Name(4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide
PubChem CID164638880
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name(4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC[C@H](CN2CCOCC2)CC1
InChIInChI=1S/C18H33N3O2/c22-18(19-17-6-2-1-3-7-17)21-9-4-5-16(8-10-21)15-20-11-13-23-14-12-20/h16-17H,1-15H2,(H,19,22)/t16-/m0/s1
InChIKeyVFCKWEUKSKSTOD-INIZCTEOSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The IUPAC name of (4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide (CID 164638880) is (4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide.
What is the SMILES notation for (4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The canonical SMILES for (4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide is O=C(NC1CCCCC1)N1CCC[C@H](CN2CCOCC2)CC1.
What is the InChIKey of (4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The InChIKey is VFCKWEUKSKSTOD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H33N3O2/c22-18(19-17-6-2-1-3-7-17)21-9-4-5-16(8-10-21)15-20-11-13-23-14-12-20/h16-17H,1-15H2,(H,19,22)/t16-/m0/s1.
What are the key properties of (4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide?
(4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide is sourced from PubChem (CID 164638880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).