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

C14H27N3O2 — CID 164636175

IUPAC(2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
SMILESCCNC(=O)N1CCCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-2-15-14(18)17-7-5-3-4-6-13(17)12-16-8-10-19-11-9-16/h13H,2-12H2,1H3,(H,15,18)/t13-/m1/s1
InChIKeyLDYVQAKGNQZKGC-CYBMUJFWSA-N
MW269.39 g/mol
LogP1.29
Rot. Bonds3

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

(2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide (PubChem CID 164636175) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
PubChem CID164636175
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
SMILESCCNC(=O)N1CCCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-2-15-14(18)17-7-5-3-4-6-13(17)12-16-8-10-19-11-9-16/h13H,2-12H2,1H3,(H,15,18)/t13-/m1/s1
InChIKeyLDYVQAKGNQZKGC-CYBMUJFWSA-N
XLogP1.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-(Cyclohexyl)carbamoyl)morpholine
CID 853662
1-Butyl-3-(2-morpholinoethyl)urea
CID 1632256
N-(2-methoxyethyl)-4-(propan-2-ylamino)piperidine-1-carboxamide
CID 72018405
N-cycloheptylmorpholine-4-carboxamide
CID 669639
N-(pentan-2-yl)morpholine-4-carboxamide
CID 3137306
N-(pentan-3-yl)morpholine-4-carboxamide
CID 787327
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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The IUPAC name of (2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide (CID 164636175) is (2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide.
What is the SMILES notation for (2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The canonical SMILES for (2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide is CCNC(=O)N1CCCCC[C@@H]1CN1CCOCC1.
What is the InChIKey of (2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The InChIKey is LDYVQAKGNQZKGC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-2-15-14(18)17-7-5-3-4-6-13(17)12-16-8-10-19-11-9-16/h13H,2-12H2,1H3,(H,15,18)/t13-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
(2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide is sourced from PubChem (CID 164636175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).