(2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide

C19H27N3O5 — CID 125155597

IUPAC(2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCCO1
InChIInChI=1S/C19H27N3O5/c1-15-13-22(7-2-10-26-15)19(24)20-16-3-5-17(6-4-16)27-14-18(23)21-8-11-25-12-9-21/h3-6,15H,2,7-14H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyFQEXQJRFEZKGQG-HNNXBMFYSA-N
MW377.44 g/mol
LogP1.57
Rot. Bonds4

About (2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide

(2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide (PubChem CID 125155597) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide
PubChem CID125155597
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name(2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCCO1
InChIInChI=1S/C19H27N3O5/c1-15-13-22(7-2-10-26-15)19(24)20-16-3-5-17(6-4-16)27-14-18(23)21-8-11-25-12-9-21/h3-6,15H,2,7-14H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyFQEXQJRFEZKGQG-HNNXBMFYSA-N
XLogP1.57
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide with MolForge

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Related Compounds

N-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]phenyl]acetamide
CID 51293775
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide
CID 118776743
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
2-[4-(aminomethyl)phenoxy]-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62988279
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
2-[4-(4-fluorobenzoyl)phenoxy]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 30036278
N-[4-(oxiran-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 71370344
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide?
The IUPAC name of (2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide (CID 125155597) is (2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide is C[C@H]1CN(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCCO1.
What is the InChIKey of (2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide?
The InChIKey is FQEXQJRFEZKGQG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-15-13-22(7-2-10-26-15)19(24)20-16-3-5-17(6-4-16)27-14-18(23)21-8-11-25-12-9-21/h3-6,15H,2,7-14H2,1H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide?
(2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 125155597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).