N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide

C14H28N2O2 — CID 106974762

IUPACN-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(CCCO)C(C)C)CCCN1
InChIInChI=1S/C14H28N2O2/c1-4-7-14(8-5-9-15-14)13(18)16(12(2)3)10-6-11-17/h12,15,17H,4-11H2,1-3H3
InChIKeyNCBNDLBLWZVTKL-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.53
Rot. Bonds7

About N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide

N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974762) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide
PubChem CID106974762
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(CCCO)C(C)C)CCCN1
InChIInChI=1S/C14H28N2O2/c1-4-7-14(8-5-9-15-14)13(18)16(12(2)3)10-6-11-17/h12,15,17H,4-11H2,1-3H3
InChIKeyNCBNDLBLWZVTKL-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974202
2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83071421
N-(3-hydroxypropyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128773
N,N-bis(2-methylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974292
N-ethyl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974201
N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106974977
N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide
CID 106974664
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975714
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974598
N-(1-cyclopropylethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 106974581
N-methyl-N-[2-(methylamino)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975276
N-(2-amino-2-oxoethyl)-2-ethyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83079558

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide (CID 106974762) is N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)N(CCCO)C(C)C)CCCN1.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide?
The InChIKey is NCBNDLBLWZVTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-7-14(8-5-9-15-14)13(18)16(12(2)3)10-6-11-17/h12,15,17H,4-11H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide?
N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).