2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide

C19H29N3O3 — CID 47075835

IUPAC2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1CN1CC(C)OC(C)C1
InChIInChI=1S/C19H29N3O3/c1-14-11-21(12-15(2)25-14)13-16-7-6-10-22(16)19(23)20-17-8-4-5-9-18(17)24-3/h4-5,8-9,14-16H,6-7,10-13H2,1-3H3,(H,20,23)
InChIKeyVKJQPHZHLAFUHN-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.80
Rot. Bonds4

About 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide

2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 47075835) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID47075835
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1CN1CC(C)OC(C)C1
InChIInChI=1S/C19H29N3O3/c1-14-11-21(12-15(2)25-14)13-16-7-6-10-22(16)19(23)20-17-8-4-5-9-18(17)24-3/h4-5,8-9,14-16H,6-7,10-13H2,1-3H3,(H,20,23)
InChIKeyVKJQPHZHLAFUHN-UHFFFAOYSA-N
XLogP2.80
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95045652
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide
CID 47850387
(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 100841076
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide
CID 79547105
N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316424
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 95157617
N-(2-methoxyphenyl)-3-(piperidin-1-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 90568974
2-(3,4-dimethoxyphenyl)-1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 51126545
1-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94799202
(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
CID 52502579
[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 94800092

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide (CID 47075835) is 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide is COc1ccccc1NC(=O)N1CCCC1CN1CC(C)OC(C)C1.
What is the InChIKey of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is VKJQPHZHLAFUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-11-21(12-15(2)25-14)13-16-7-6-10-22(16)19(23)20-17-8-4-5-9-18(17)24-3/h4-5,8-9,14-16H,6-7,10-13H2,1-3H3,(H,20,23).
What are the key properties of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide?
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47075835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).