N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide

C16H25N3O2 — CID 119895369

IUPACN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC1CCN(c2ccccc2OC)C1
InChIInChI=1S/C16H25N3O2/c1-12(10-17-2)16(20)18-13-8-9-19(11-13)14-6-4-5-7-15(14)21-3/h4-7,12-13,17H,8-11H2,1-3H3,(H,18,20)
InChIKeyQAJNNQPNHYDTML-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.25
Rot. Bonds6

About N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide

N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119895369) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
PubChem CID119895369
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC1CCN(c2ccccc2OC)C1
InChIInChI=1S/C16H25N3O2/c1-12(10-17-2)16(20)18-13-8-9-19(11-13)14-6-4-5-7-15(14)21-3/h4-7,12-13,17H,8-11H2,1-3H3,(H,18,20)
InChIKeyQAJNNQPNHYDTML-UHFFFAOYSA-N
XLogP1.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364
(2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide
CID 124609038
4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 120597287
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide
CID 119866158
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100876121
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide
CID 136514303
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide
CID 86965606
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119895345
4-(dimethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 136514299

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide (CID 119895369) is N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NC1CCN(c2ccccc2OC)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is QAJNNQPNHYDTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(10-17-2)16(20)18-13-8-9-19(11-13)14-6-4-5-7-15(14)21-3/h4-7,12-13,17H,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide?
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119895369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).