N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide

C12H25N3O3 — CID 106148580

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCC(C)(O)CN(C)C)C1
InChIInChI=1S/C12H25N3O3/c1-12(17,8-15(2)3)7-14-11(16)10-5-9(18-4)6-13-10/h9-10,13,17H,5-8H2,1-4H3,(H,14,16)
InChIKeyGIQLPFSCROVEOO-UHFFFAOYSA-N
MW259.35 g/mol
LogP-1.21
Rot. Bonds6

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 106148580) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID106148580
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCC(C)(O)CN(C)C)C1
InChIInChI=1S/C12H25N3O3/c1-12(17,8-15(2)3)7-14-11(16)10-5-9(18-4)6-13-10/h9-10,13,17H,5-8H2,1-4H3,(H,14,16)
InChIKeyGIQLPFSCROVEOO-UHFFFAOYSA-N
XLogP-1.21
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidine-2-carboxamide
CID 106148323
4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 114617212
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 106148501
N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 54968386
N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61215073
2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate
CID 83209217
(3R,5S)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-3-sulfonic acid
CID 140895557
4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
CID 61214360
4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide
CID 61215245
N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61276211
(2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride
CID 130657923
(3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106148540

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide (CID 106148580) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NCC(C)(O)CN(C)C)C1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is GIQLPFSCROVEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-12(17,8-15(2)3)7-14-11(16)10-5-9(18-4)6-13-10/h9-10,13,17H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of -1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 106148580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).