N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide

C27H31N3O — CID 121348094

IUPACN-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide
SMILESCN(C(=O)C(c1ccccc1)c1ccccc1)C(CN1CCCC1)c1cccc(N)c1
InChIInChI=1S/C27H31N3O/c1-29(25(20-30-17-8-9-18-30)23-15-10-16-24(28)19-23)27(31)26(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-7,10-16,19,25-26H,8-9,17-18,20,28H2,1H3
InChIKeyHTPLSBDQXPSSTD-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.70
Rot. Bonds7

About N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide

N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide (PubChem CID 121348094) has the molecular formula C27H31N3O and a molecular weight of 413.57 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide
PubChem CID121348094
Molecular FormulaC27H31N3O
Molecular Weight413.57 g/mol
Exact Mass413.25
IUPAC NameN-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide
SMILESCN(C(=O)C(c1ccccc1)c1ccccc1)C(CN1CCCC1)c1cccc(N)c1
InChIInChI=1S/C27H31N3O/c1-29(25(20-30-17-8-9-18-30)23-15-10-16-24(28)19-23)27(31)26(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-7,10-16,19,25-26H,8-9,17-18,20,28H2,1H3
InChIKeyHTPLSBDQXPSSTD-UHFFFAOYSA-N
XLogP4.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 10452010
(Z)-5-(2-aminophenyl)-6-[methyl-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]amino]-4,6-dioxohex-2-enoic acid;(Z)-but-2-enedioic acid
CID 10120098
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
2,2,2-trifluoro-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 11779548
N-methyl-2-phenyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 86268656
ethane;N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 91275660
N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]acetamide
CID 86268866
N-methyl-2-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 118927562
N-methyl-1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide;hydrochloride
CID 77179130
2-anthracen-9-yl-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
CID 10161599
N-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide
CID 121357490
[1-(3,4-dichlorophenyl)-2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl] acetate
CID 10072390

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide?
The IUPAC name of N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide (CID 121348094) is N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide.
What is the SMILES notation for N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide?
The canonical SMILES for N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide is CN(C(=O)C(c1ccccc1)c1ccccc1)C(CN1CCCC1)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide?
The InChIKey is HTPLSBDQXPSSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O/c1-29(25(20-30-17-8-9-18-30)23-15-10-16-24(28)19-23)27(31)26(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-7,10-16,19,25-26H,8-9,17-18,20,28H2,1H3.
What are the key properties of N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide?
N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide has a molecular weight of 413.57 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide is sourced from PubChem (CID 121348094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).