(2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide

C17H26N4O3 — CID 124609038

IUPAC(2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide
SMILESCOc1ccccc1N1CC[C@H](NC(=O)N[C@@H](C)C(=O)N(C)C)C1
InChIInChI=1S/C17H26N4O3/c1-12(16(22)20(2)3)18-17(23)19-13-9-10-21(11-13)14-7-5-6-8-15(14)24-4/h5-8,12-13H,9-11H2,1-4H3,(H2,18,19,23)/t12-,13-/m0/s1
InChIKeyLRIQOXXCOYZBMQ-STQMWFEESA-N
MW334.42 g/mol
LogP1.05
Rot. Bonds5

About (2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide

(2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide (PubChem CID 124609038) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide
PubChem CID124609038
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide
SMILESCOc1ccccc1N1CC[C@H](NC(=O)N[C@@H](C)C(=O)N(C)C)C1
InChIInChI=1S/C17H26N4O3/c1-12(16(22)20(2)3)18-17(23)19-13-9-10-21(11-13)14-7-5-6-8-15(14)24-4/h5-8,12-13H,9-11H2,1-4H3,(H2,18,19,23)/t12-,13-/m0/s1
InChIKeyLRIQOXXCOYZBMQ-STQMWFEESA-N
XLogP1.05
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 136514128
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
4-(dimethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 136514299
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
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
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119895345
4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 120597287
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide
CID 136514303
2-[[(cyclohexylmethylamino)-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110046433

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide (CID 124609038) is (2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide is COc1ccccc1N1CC[C@H](NC(=O)N[C@@H](C)C(=O)N(C)C)C1.
What is the InChIKey of (2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide?
The InChIKey is LRIQOXXCOYZBMQ-STQMWFEESA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12(16(22)20(2)3)18-17(23)19-13-9-10-21(11-13)14-7-5-6-8-15(14)24-4/h5-8,12-13H,9-11H2,1-4H3,(H2,18,19,23)/t12-,13-/m0/s1.
What are the key properties of (2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide?
(2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 124609038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).