N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide

C12H24N2O2 — CID 104551752

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)C(C)CO)CCNC1
InChIInChI=1S/C12H24N2O2/c1-4-5-12(6-7-13-9-12)11(16)14(3)10(2)8-15/h10,13,15H,4-9H2,1-3H3
InChIKeyMGLCTRMCXZHDCW-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide

N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide (PubChem CID 104551752) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
PubChem CID104551752
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)C(C)CO)CCNC1
InChIInChI=1S/C12H24N2O2/c1-4-5-12(6-7-13-9-12)11(16)14(3)10(2)8-15/h10,13,15H,4-9H2,1-3H3
InChIKeyMGLCTRMCXZHDCW-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143489
4-ethyl-N-(1-hydroxypropan-2-yl)-N-methylpiperidine-4-carboxamide
CID 104551835
N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 63224988
3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide
CID 112659335
N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63144012
N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63138504
methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate
CID 63143463
N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
CID 63142003
N-methyl-N-[(2-methylcyclopropyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63866435
N-(2-cyanopropyl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
CID 63143639
N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 64518648

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide (CID 104551752) is N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)N(C)C(C)CO)CCNC1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide?
The InChIKey is MGLCTRMCXZHDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-12(6-7-13-9-12)11(16)14(3)10(2)8-15/h10,13,15H,4-9H2,1-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 104551752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).