5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide

C26H27N3O2 — CID 1063350

IUPAC5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide
SMILESC[C@H](NC(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCCC1)c1ccccc1
InChIInChI=1S/C26H27N3O2/c1-19(20-10-4-2-5-11-20)27-26(31)23-18-22(14-15-24(23)29-16-8-9-17-29)28-25(30)21-12-6-3-7-13-21/h2-7,10-15,18-19H,8-9,16-17H2,1H3,(H,27,31)(H,28,30)/t19-/m0/s1
InChIKeyUSVMQMQVGQFBBB-IBGZPJMESA-N
MW413.52 g/mol
LogP5.03
Rot. Bonds6

About 5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide

5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 1063350) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide
PubChem CID1063350
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide
SMILESC[C@H](NC(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCCC1)c1ccccc1
InChIInChI=1S/C26H27N3O2/c1-19(20-10-4-2-5-11-20)27-26(31)23-18-22(14-15-24(23)29-16-8-9-17-29)28-25(30)21-12-6-3-7-13-21/h2-7,10-15,18-19H,8-9,16-17H2,1H3,(H,27,31)(H,28,30)/t19-/m0/s1
InChIKeyUSVMQMQVGQFBBB-IBGZPJMESA-N
XLogP5.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4302536
5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4302250
5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4302444
5-[[(2S)-2-chloropropanoyl]amino]-N-[(1S)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 1066160
5-(3,3-dimethylbutanoylamino)-N-[(1S)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 1066129
5-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 3959596
5-[(2,6-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 3965125
5-[(4-ethoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 93099771
5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4544278
5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3689209
5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 42751129
tert-butyl 4-[[3-(1-phenylethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
CID 46185969

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide (CID 1063350) is 5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide is C[C@H](NC(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCCC1)c1ccccc1.
What is the InChIKey of 5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is USVMQMQVGQFBBB-IBGZPJMESA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19(20-10-4-2-5-11-20)27-26(31)23-18-22(14-15-24(23)29-16-8-9-17-29)28-25(30)21-12-6-3-7-13-21/h2-7,10-15,18-19H,8-9,16-17H2,1H3,(H,27,31)(H,28,30)/t19-/m0/s1.
What are the key properties of 5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide?
5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 413.52 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 1063350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).