N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide

C19H27N3O2 — CID 95208919

IUPACN-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC[C@@H]1CCN(Cc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C19H27N3O2/c1-19(2,24-3)18(23)20-11-14-8-9-22(12-14)13-16-10-15-6-4-5-7-17(15)21-16/h4-7,10,14,21H,8-9,11-13H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyGFUCRLIBXDURLP-AWEZNQCLSA-N
MW329.44 g/mol
LogP2.53
Rot. Bonds6

About N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide

N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide (PubChem CID 95208919) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide
PubChem CID95208919
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC[C@@H]1CCN(Cc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C19H27N3O2/c1-19(2,24-3)18(23)20-11-14-8-9-22(12-14)13-16-10-15-6-4-5-7-17(15)21-16/h4-7,10,14,21H,8-9,11-13H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyGFUCRLIBXDURLP-AWEZNQCLSA-N
XLogP2.53
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
CID 56708358
N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide
CID 95230885
2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 21036988
2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 56711026
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 96548725
1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198921
1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920
2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide
CID 120595588
N-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide
CID 95209222
3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 124556492
2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95193385

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide (CID 95208919) is N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC[C@@H]1CCN(Cc2cc3ccccc3[nH]2)C1.
What is the InChIKey of N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide?
The InChIKey is GFUCRLIBXDURLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(2,24-3)18(23)20-11-14-8-9-22(12-14)13-16-10-15-6-4-5-7-17(15)21-16/h4-7,10,14,21H,8-9,11-13H2,1-3H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide?
N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide has a molecular weight of 329.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 95208919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).