N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide

C30H36N4O2 — CID 42756099

IUPACN-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1N1CCCC1
InChIInChI=1S/C30H36N4O2/c1-3-33(4-2)21-18-31-30(36)27-22-26(16-17-28(27)34-19-8-9-20-34)32-29(35)25-14-12-24(13-15-25)23-10-6-5-7-11-23/h5-7,10-17,22H,3-4,8-9,18-21H2,1-2H3,(H,31,36)(H,32,35)
InChIKeyXLJOXRALCNQYFC-UHFFFAOYSA-N
MW484.64 g/mol
LogP5.28
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide

N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide (PubChem CID 42756099) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
PubChem CID42756099
Molecular FormulaC30H36N4O2
Molecular Weight484.64 g/mol
Exact Mass484.28
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1N1CCCC1
InChIInChI=1S/C30H36N4O2/c1-3-33(4-2)21-18-31-30(36)27-22-26(16-17-28(27)34-19-8-9-20-34)32-29(35)25-14-12-24(13-15-25)23-10-6-5-7-11-23/h5-7,10-17,22H,3-4,8-9,18-21H2,1-2H3,(H,31,36)(H,32,35)
InChIKeyXLJOXRALCNQYFC-UHFFFAOYSA-N
XLogP5.28
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-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

N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3374189
N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756110
5-(cyclopropanecarbonylamino)-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42756085
N-[2-(diethylamino)ethyl]-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756097
N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 42755681
N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3443587
N-[3-[2-(diethylamino)ethylcarbamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
CID 42756086
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
N-[2-(diethylamino)ethyl]-5-(3,3-dimethylbutanoylamino)-2-piperidin-1-ylbenzamide
CID 4538451
5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42660921
5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 42757077
4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1059310

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide (CID 42756099) is N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide is CCN(CC)CCNC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1N1CCCC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is XLJOXRALCNQYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O2/c1-3-33(4-2)21-18-31-30(36)27-22-26(16-17-28(27)34-19-8-9-20-34)32-29(35)25-14-12-24(13-15-25)23-10-6-5-7-11-23/h5-7,10-17,22H,3-4,8-9,18-21H2,1-2H3,(H,31,36)(H,32,35).
What are the key properties of N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 484.64 g/mol, XLogP of 5.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42756099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).