2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide

C14H21N3O2 — CID 106621325

IUPAC2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESNC(=O)c1ccccc1N(CCO)CC1CCCN1
InChIInChI=1S/C14H21N3O2/c15-14(19)12-5-1-2-6-13(12)17(8-9-18)10-11-4-3-7-16-11/h1-2,5-6,11,16,18H,3-4,7-10H2,(H2,15,19)
InChIKeyLUYGGGQMCVZSFU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.34
Rot. Bonds6

About 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide (PubChem CID 106621325) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
PubChem CID106621325
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESNC(=O)c1ccccc1N(CCO)CC1CCCN1
InChIInChI=1S/C14H21N3O2/c15-14(19)12-5-1-2-6-13(12)17(8-9-18)10-11-4-3-7-16-11/h1-2,5-6,11,16,18H,3-4,7-10H2,(H2,15,19)
InChIKeyLUYGGGQMCVZSFU-UHFFFAOYSA-N
XLogP0.34
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621481
6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
CID 106621384
4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619754
2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol
CID 106621399
2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619692
2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 69169822
2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106615202
5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620042
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-nitrobenzamide
CID 106619376
3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
CID 106621377
4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620717
N-(2-hydroxyethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612911

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide (CID 106621325) is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The canonical SMILES for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide is NC(=O)c1ccccc1N(CCO)CC1CCCN1.
What is the InChIKey of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The InChIKey is LUYGGGQMCVZSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(19)12-5-1-2-6-13(12)17(8-9-18)10-11-4-3-7-16-11/h1-2,5-6,11,16,18H,3-4,7-10H2,(H2,15,19).
What are the key properties of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 106621325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).