N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide

C19H29N3O3 — CID 95157214

IUPACN-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide
SMILESCOc1cccc(N2CC[C@@H](CNC(=O)N3CCOC(C)(C)C3)C2)c1
InChIInChI=1S/C19H29N3O3/c1-19(2)14-22(9-10-25-19)18(23)20-12-15-7-8-21(13-15)16-5-4-6-17(11-16)24-3/h4-6,11,15H,7-10,12-14H2,1-3H3,(H,20,23)/t15-/m0/s1
InChIKeySOVACGPRVGOBCS-HNNXBMFYSA-N
MW347.46 g/mol
LogP2.34
Rot. Bonds4

About N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide

N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide (PubChem CID 95157214) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide
PubChem CID95157214
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide
SMILESCOc1cccc(N2CC[C@@H](CNC(=O)N3CCOC(C)(C)C3)C2)c1
InChIInChI=1S/C19H29N3O3/c1-19(2)14-22(9-10-25-19)18(23)20-12-15-7-8-21(13-15)16-5-4-6-17(11-16)24-3/h4-6,11,15H,7-10,12-14H2,1-3H3,(H,20,23)/t15-/m0/s1
InChIKeySOVACGPRVGOBCS-HNNXBMFYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 98763526
1-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 98760898
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95285621
1-(furan-2-ylmethyl)-3-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95149324
3,3-dicyclopropyl-N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide
CID 94821491
1-amino-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119871042
1-(dicyclopropylmethyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300449
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
CID 95296545
3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylcarbamoyl-methylamino]propanoic acid
CID 122000111
1-(4-hydroxycyclohexyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300487
4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 120645829
1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea
CID 95157772

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide (CID 95157214) is N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide is COc1cccc(N2CC[C@@H](CNC(=O)N3CCOC(C)(C)C3)C2)c1.
What is the InChIKey of N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide?
The InChIKey is SOVACGPRVGOBCS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(2)14-22(9-10-25-19)18(23)20-12-15-7-8-21(13-15)16-5-4-6-17(11-16)24-3/h4-6,11,15H,7-10,12-14H2,1-3H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide?
N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,2-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 95157214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).