N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide

C16H22N2O2 — CID 106599402

IUPACN-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1O)N(CC1CCCN1)C1CC1
InChIInChI=1S/C16H22N2O2/c19-15-6-2-1-4-12(15)10-16(20)18(14-7-8-14)11-13-5-3-9-17-13/h1-2,4,6,13-14,17,19H,3,5,7-11H2
InChIKeyCTGIWCYCPKDDDG-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.68
Rot. Bonds5

About N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide

N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 106599402) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID106599402
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1O)N(CC1CCCN1)C1CC1
InChIInChI=1S/C16H22N2O2/c19-15-6-2-1-4-12(15)10-16(20)18(14-7-8-14)11-13-5-3-9-17-13/h1-2,4,6,13-14,17,19H,3,5,7-11H2
InChIKeyCTGIWCYCPKDDDG-UHFFFAOYSA-N
XLogP1.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974150
2-(4-bromophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974020
N-cyclopropyl-2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626819
N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 104974179
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974055
N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 129401167
N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 106599276
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
N-(3-aminopropyl)-N-cyclopropyl-2-(2-hydroxyphenyl)acetamide
CID 80744348
N-(2-aminoethyl)-N-cyclopentyl-2-(2-hydroxyphenyl)acetamide
CID 80743733
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
N-cyclopropyl-3-(furan-2-yl)-N-(piperidin-2-ylmethyl)propanamide
CID 106626726

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide (CID 106599402) is N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide is O=C(Cc1ccccc1O)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is CTGIWCYCPKDDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-6-2-1-4-12(15)10-16(20)18(14-7-8-14)11-13-5-3-9-17-13/h1-2,4,6,13-14,17,19H,3,5,7-11H2.
What are the key properties of N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 106599402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).