N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide

C25H33N3O3 — CID 3291960

IUPACN-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)c2ccc(CC)cc2)ccc1N1CCCC1
InChIInChI=1S/C25H33N3O3/c1-3-19-8-10-20(11-9-19)24(29)27-21-12-13-23(28-15-5-6-16-28)22(18-21)25(30)26-14-7-17-31-4-2/h8-13,18H,3-7,14-17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyGZKVPELOFWRVDA-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.26
Rot. Bonds10

About N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide

N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide (PubChem CID 3291960) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
PubChem CID3291960
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)c2ccc(CC)cc2)ccc1N1CCCC1
InChIInChI=1S/C25H33N3O3/c1-3-19-8-10-20(11-9-19)24(29)27-21-12-13-23(28-15-5-6-16-28)22(18-21)25(30)26-14-7-17-31-4-2/h8-13,18H,3-7,14-17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyGZKVPELOFWRVDA-UHFFFAOYSA-N
XLogP4.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756154
5-[(4-ethylbenzoyl)amino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5135806
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide
CID 3341979
5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
CID 42660675
5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42757211
N-(3-ethoxypropyl)-5-[(3-methoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3573870
5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756162
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3268817
N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 4043686
N-(3-ethoxypropyl)-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide
CID 3442769
N-(3-ethoxypropyl)-5-[(2-methoxyacetyl)amino]-2-piperidin-1-ylbenzamide
CID 3313832
N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3439444

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide (CID 3291960) is N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide is CCOCCCNC(=O)c1cc(NC(=O)c2ccc(CC)cc2)ccc1N1CCCC1.
What is the InChIKey of N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is GZKVPELOFWRVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-3-19-8-10-20(11-9-19)24(29)27-21-12-13-23(28-15-5-6-16-28)22(18-21)25(30)26-14-7-17-31-4-2/h8-13,18H,3-7,14-17H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 423.56 g/mol, XLogP of 4.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 3291960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).