2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide

C16H25N3O2 — CID 106618033

IUPAC2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N(CCO)CC1CCCN1
InChIInChI=1S/C16H25N3O2/c1-13(16(21)18-14-6-3-2-4-7-14)19(10-11-20)12-15-8-5-9-17-15/h2-4,6-7,13,15,17,20H,5,8-12H2,1H3,(H,18,21)
InChIKeyTZYXJZIXJNMHRM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.06
Rot. Bonds7

About 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide (PubChem CID 106618033) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide
PubChem CID106618033
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N(CCO)CC1CCCN1
InChIInChI=1S/C16H25N3O2/c1-13(16(21)18-14-6-3-2-4-7-14)19(10-11-20)12-15-8-5-9-17-15/h2-4,6-7,13,15,17,20H,5,8-12H2,1H3,(H,18,21)
InChIKeyTZYXJZIXJNMHRM-UHFFFAOYSA-N
XLogP1.06
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide
CID 106618297
N-cyclopentyl-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617913
3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613236
N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617964
2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606795
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396
2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606385
2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]-N-phenylpropanamide
CID 91833950
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
2-[cyclobutyl(3-hydroxypropyl)amino]-N-phenylpropanamide
CID 102858396
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 106617904

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide?
The IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide (CID 106618033) is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide?
The canonical SMILES for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)N(CCO)CC1CCCN1.
What is the InChIKey of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide?
The InChIKey is TZYXJZIXJNMHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(16(21)18-14-6-3-2-4-7-14)19(10-11-20)12-15-8-5-9-17-15/h2-4,6-7,13,15,17,20H,5,8-12H2,1H3,(H,18,21).
What are the key properties of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide?
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 1.06, 7 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]-N-phenylpropanamide is sourced from PubChem (CID 106618033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).