3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide

C15H29N3O2 — CID 86816948

IUPAC3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(CC1CCCO1)NC(=O)N1CCC(CN(C)C)C1
InChIInChI=1S/C15H29N3O2/c1-12(9-14-5-4-8-20-14)16-15(19)18-7-6-13(11-18)10-17(2)3/h12-14H,4-11H2,1-3H3,(H,16,19)
InChIKeyMDMCCWVAJOFMJF-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.54
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide

3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 86816948) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide
PubChem CID86816948
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(CC1CCCO1)NC(=O)N1CCC(CN(C)C)C1
InChIInChI=1S/C15H29N3O2/c1-12(9-14-5-4-8-20-14)16-15(19)18-7-6-13(11-18)10-17(2)3/h12-14H,4-11H2,1-3H3,(H,16,19)
InChIKeyMDMCCWVAJOFMJF-UHFFFAOYSA-N
XLogP1.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 75495442
N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104298
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
CID 95786491
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 91661432
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
N-(1-cyclopropylpropan-2-yl)morpholine-4-carboxamide
CID 115624308
(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-carboxamide
CID 129429998
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
(3S)-3-[(dimethylamino)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]pyrrolidine-1-carboxamide
CID 99625620
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
(3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide
CID 99627815
(3S)-N-[(1R)-1-(2,4-difluorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99628195

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide (CID 86816948) is 3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide is CC(CC1CCCO1)NC(=O)N1CCC(CN(C)C)C1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is MDMCCWVAJOFMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(9-14-5-4-8-20-14)16-15(19)18-7-6-13(11-18)10-17(2)3/h12-14H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide?
3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 86816948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).