(2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide

C13H23N3O3 — CID 164633916

IUPAC(2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide
SMILESO=C1CCCC[C@@H](C(=O)NCCN2CCOCC2)N1
InChIInChI=1S/C13H23N3O3/c17-12-4-2-1-3-11(15-12)13(18)14-5-6-16-7-9-19-10-8-16/h11H,1-10H2,(H,14,18)(H,15,17)/t11-/m0/s1
InChIKeyRLUVMQHQEYUOEF-NSHDSACASA-N
MW269.34 g/mol
LogP-0.51
Rot. Bonds4

About (2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide

(2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide (PubChem CID 164633916) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide
PubChem CID164633916
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide
SMILESO=C1CCCC[C@@H](C(=O)NCCN2CCOCC2)N1
InChIInChI=1S/C13H23N3O3/c17-12-4-2-1-3-11(15-12)13(18)14-5-6-16-7-9-19-10-8-16/h11H,1-10H2,(H,14,18)(H,15,17)/t11-/m0/s1
InChIKeyRLUVMQHQEYUOEF-NSHDSACASA-N
XLogP-0.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide?
The IUPAC name of (2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide (CID 164633916) is (2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide is O=C1CCCC[C@@H](C(=O)NCCN2CCOCC2)N1.
What is the InChIKey of (2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide?
The InChIKey is RLUVMQHQEYUOEF-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3O3/c17-12-4-2-1-3-11(15-12)13(18)14-5-6-16-7-9-19-10-8-16/h11H,1-10H2,(H,14,18)(H,15,17)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide?
(2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 164633916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).