N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide

C15H22N2O2 — CID 103837231

IUPACN-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESCC(O)CC1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-12(18)10-14-8-5-9-17(14)15(19)16-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,18H,5,8-11H2,1H3,(H,16,19)
InChIKeyYLBCETNHMRWFDT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.13
Rot. Bonds4

About N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide

N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide (PubChem CID 103837231) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
PubChem CID103837231
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESCC(O)CC1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-12(18)10-14-8-5-9-17(14)15(19)16-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,18H,5,8-11H2,1H3,(H,16,19)
InChIKeyYLBCETNHMRWFDT-UHFFFAOYSA-N
XLogP2.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[2-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019638
4-[[[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020978
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654539
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071
(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468506
(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 95909147
2-(2-hydroxypropyl)-N-methylpyrrolidine-1-carboxamide
CID 115481757
2-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 111476043
2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 106900464
3-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61207658

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide (CID 103837231) is N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide is CC(O)CC1CCCN1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
The InChIKey is YLBCETNHMRWFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(18)10-14-8-5-9-17(14)15(19)16-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,18H,5,8-11H2,1H3,(H,16,19).
What are the key properties of N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 103837231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).