(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide

C15H26N4O2 — CID 124948546

IUPAC(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide
SMILESCCCn1ccnc1CN1CCO[C@](C)(C(=O)N(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-5-7-19-8-6-16-13(19)11-18-9-10-21-15(2,12-18)14(20)17(3)4/h6,8H,5,7,9-12H2,1-4H3/t15-/m0/s1
InChIKeyCNSUAVLHKAYADA-HNNXBMFYSA-N
MW294.40 g/mol
LogP0.97
Rot. Bonds5

About (2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide

(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide (PubChem CID 124948546) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide
PubChem CID124948546
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide
SMILESCCCn1ccnc1CN1CCO[C@](C)(C(=O)N(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-5-7-19-8-6-16-13(19)11-18-9-10-21-15(2,12-18)14(20)17(3)4/h6,8H,5,7,9-12H2,1-4H3/t15-/m0/s1
InChIKeyCNSUAVLHKAYADA-HNNXBMFYSA-N
XLogP0.97
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 127247751
(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide
CID 95839658
(2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 92632641
N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 127247739
2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 125020894
(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124948384
(2R)-N,N,2-trimethyl-4-(2-phenylethyl)morpholine-2-carboxamide
CID 95839205
(2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 124961584
2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
CID 110097035
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147792
5-ethylsulfonyl-2-[(1-propylimidazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 156604501
(3aS,6aS)-2-methyl-5-[(1-propylimidazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50958499

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide (CID 124948546) is (2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide is CCCn1ccnc1CN1CCO[C@](C)(C(=O)N(C)C)C1.
What is the InChIKey of (2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide?
The InChIKey is CNSUAVLHKAYADA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-7-19-8-6-16-13(19)11-18-9-10-21-15(2,12-18)14(20)17(3)4/h6,8H,5,7,9-12H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide?
(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 124948546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).