N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide

C21H33N3O3 — CID 136514303

IUPACN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide
SMILESCOc1ccccc1N1CCC(NC(=O)C(NC2CCOCC2)C(C)C)C1
InChIInChI=1S/C21H33N3O3/c1-15(2)20(22-16-9-12-27-13-10-16)21(25)23-17-8-11-24(14-17)18-6-4-5-7-19(18)26-3/h4-7,15-17,20,22H,8-14H2,1-3H3,(H,23,25)
InChIKeyRIKNOFSOUIOCGW-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.18
Rot. Bonds7

About N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide

N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide (PubChem CID 136514303) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide
PubChem CID136514303
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide
SMILESCOc1ccccc1N1CCC(NC(=O)C(NC2CCOCC2)C(C)C)C1
InChIInChI=1S/C21H33N3O3/c1-15(2)20(22-16-9-12-27-13-10-16)21(25)23-17-8-11-24(14-17)18-6-4-5-7-19(18)26-3/h4-7,15-17,20,22H,8-14H2,1-3H3,(H,23,25)
InChIKeyRIKNOFSOUIOCGW-UHFFFAOYSA-N
XLogP2.18
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
(2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide
CID 124609038
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
(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]morpholine-3-carboxamide
CID 119895333
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364
4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 120597287
(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide
CID 119866158
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide
CID 86965606
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]-3-methyl-2-(oxan-4-ylamino)butanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide (CID 136514303) is N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide is COc1ccccc1N1CCC(NC(=O)C(NC2CCOCC2)C(C)C)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide?
The InChIKey is RIKNOFSOUIOCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-15(2)20(22-16-9-12-27-13-10-16)21(25)23-17-8-11-24(14-17)18-6-4-5-7-19(18)26-3/h4-7,15-17,20,22H,8-14H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide?
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide has a molecular weight of 375.51 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide is sourced from PubChem (CID 136514303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).