N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide

C19H27N3O2 — CID 95230885

IUPACN-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NC[C@@H]1CCN(Cc2cc3ccccc3o2)C1
InChIInChI=1S/C19H27N3O2/c1-19(2,20-3)18(23)21-11-14-8-9-22(12-14)13-16-10-15-6-4-5-7-17(15)24-16/h4-7,10,14,20H,8-9,11-13H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyOIEBWJZZEPIYFV-AWEZNQCLSA-N
MW329.44 g/mol
LogP2.37
Rot. Bonds6

About N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide

N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide (PubChem CID 95230885) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide
PubChem CID95230885
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NC[C@@H]1CCN(Cc2cc3ccccc3o2)C1
InChIInChI=1S/C19H27N3O2/c1-19(2,20-3)18(23)21-11-14-8-9-22(12-14)13-16-10-15-6-4-5-7-17(15)24-16/h4-7,10,14,20H,8-9,11-13H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyOIEBWJZZEPIYFV-AWEZNQCLSA-N
XLogP2.37
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241043
(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-amine
CID 139674632
N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide
CID 95208919
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate
CID 3266236
N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide
CID 139683456
1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea
CID 71865742
(3R,4R)-4-(azepan-1-yl)-1-(1-benzofuran-2-ylmethyl)piperidin-3-ol
CID 42196111
2-[(2R)-4-(1-benzofuran-2-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
CID 100579221
(E)-3-[6-[[(3R)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 87636638
3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 26403271
N-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide
CID 95209222

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide (CID 95230885) is N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)NC[C@@H]1CCN(Cc2cc3ccccc3o2)C1.
What is the InChIKey of N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide?
The InChIKey is OIEBWJZZEPIYFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(2,20-3)18(23)21-11-14-8-9-22(12-14)13-16-10-15-6-4-5-7-17(15)24-16/h4-7,10,14,20H,8-9,11-13H2,1-3H3,(H,21,23)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide?
N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide has a molecular weight of 329.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 95230885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).