2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide

C21H27N3O — CID 70971023

IUPAC2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
SMILESO=C(CNc1ccccc1)N(CCc1ccccc1)C[C@@H]1CCCN1
InChIInChI=1S/C21H27N3O/c25-21(16-23-19-10-5-2-6-11-19)24(17-20-12-7-14-22-20)15-13-18-8-3-1-4-9-18/h1-6,8-11,20,22-23H,7,12-17H2/t20-/m0/s1
InChIKeySRHCRCZHJBSFCD-FQEVSTJZSA-N
MW337.47 g/mol
LogP2.92
Rot. Bonds8

About 2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide

2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide (PubChem CID 70971023) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
PubChem CID70971023
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
SMILESO=C(CNc1ccccc1)N(CCc1ccccc1)C[C@@H]1CCCN1
InChIInChI=1S/C21H27N3O/c25-21(16-23-19-10-5-2-6-11-19)24(17-20-12-7-14-22-20)15-13-18-8-3-1-4-9-18/h1-6,8-11,20,22-23H,7,12-17H2/t20-/m0/s1
InChIKeySRHCRCZHJBSFCD-FQEVSTJZSA-N
XLogP2.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-ethyl-N-(2-phenylethyl)acetamide
CID 60946372
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 104974179
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide
CID 159527891
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608735
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786
N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 89362918
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
benzyl N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 66569368
benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
CID 96555664

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide (CID 70971023) is 2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide is O=C(CNc1ccccc1)N(CCc1ccccc1)C[C@@H]1CCCN1.
What is the InChIKey of 2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is SRHCRCZHJBSFCD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(16-23-19-10-5-2-6-11-19)24(17-20-12-7-14-22-20)15-13-18-8-3-1-4-9-18/h1-6,8-11,20,22-23H,7,12-17H2/t20-/m0/s1.
What are the key properties of 2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 70971023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).