N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide

C12H24N2O2 — CID 63715988

IUPACN-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C12H24N2O2/c1-9(2)14(5-4-6-15)12(16)11-8-13-7-10(11)3/h9-11,13,15H,4-8H2,1-3H3
InChIKeyUTJJAKXVXULBPJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.46
Rot. Bonds5

About N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide

N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 63715988) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID63715988
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C12H24N2O2/c1-9(2)14(5-4-6-15)12(16)11-8-13-7-10(11)3/h9-11,13,15H,4-8H2,1-3H3
InChIKeyUTJJAKXVXULBPJ-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63714593
cis-(1S,2R)-2-[3-hydroxypropyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 93469209
N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 107199408
6-[3-hydroxypropyl(propan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 54916898
2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63716507
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719573
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 43136679
4-methyl-N,N-dipropylpyrrolidine-3-carboxamide
CID 63720792
(3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide
CID 66936245
N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 55230734
N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
CID 63715754

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide (CID 63715988) is N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is UTJJAKXVXULBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)14(5-4-6-15)12(16)11-8-13-7-10(11)3/h9-11,13,15H,4-8H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide?
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63715988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).