N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide

C16H24N2O2 — CID 106612681

IUPACN-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCc1ccc(CC(=O)N(CCO)CC2CCCN2)cc1
InChIInChI=1S/C16H24N2O2/c1-13-4-6-14(7-5-13)11-16(20)18(9-10-19)12-15-3-2-8-17-15/h4-7,15,17,19H,2-3,8-12H2,1H3
InChIKeyBOQJFAAYOFKWEK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.11
Rot. Bonds6

About N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide

N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 106612681) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID106612681
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCc1ccc(CC(=O)N(CCO)CC2CCCN2)cc1
InChIInChI=1S/C16H24N2O2/c1-13-4-6-14(7-5-13)11-16(20)18(9-10-19)12-15-3-2-8-17-15/h4-7,15,17,19H,2-3,8-12H2,1H3
InChIKeyBOQJFAAYOFKWEK-UHFFFAOYSA-N
XLogP1.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2-(4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612506
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608292
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608735
N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide
CID 106627458
N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide
CID 106612363
2-cyclohexyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612848
N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612468
N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide
CID 61365434
N-(2-hydroxyethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612911
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612493
2-(4-bromophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974020

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide (CID 106612681) is N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide is Cc1ccc(CC(=O)N(CCO)CC2CCCN2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is BOQJFAAYOFKWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-4-6-14(7-5-13)11-16(20)18(9-10-19)12-15-3-2-8-17-15/h4-7,15,17,19H,2-3,8-12H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 106612681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).