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

C14H27N3O2 — CID 110196376

IUPACN-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
SMILESCCNC(=O)N1CCCCCC1CN1CCOCC1
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)
InChIKeyLDYVQAKGNQZKGC-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.29
Rot. Bonds3

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

N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide (PubChem CID 110196376) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
PubChem CID110196376
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
SMILESCCNC(=O)N1CCCCCC1CN1CCOCC1
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)
InChIKeyLDYVQAKGNQZKGC-UHFFFAOYSA-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

N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
CID 110196370
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-ethylazepane-1-carboxamide
CID 91919809
2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875378
(2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 126454885
(2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 126451330
(2S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 126451329
[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120637820
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
2-(morpholin-4-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 56795491
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71868474
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71867957

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The IUPAC name of N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide (CID 110196376) is N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide.
What is the SMILES notation for N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The canonical SMILES for N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide is CCNC(=O)N1CCCCCC1CN1CCOCC1.
What is the InChIKey of N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The InChIKey is LDYVQAKGNQZKGC-UHFFFAOYSA-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).
What are the key properties of N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
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 N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide is sourced from PubChem (CID 110196376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).