5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide

C26H35N3O3 — CID 42757211

IUPAC5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCCOC)c2)cc1
InChIInChI=1S/C26H35N3O3/c1-3-4-8-20-9-11-21(12-10-20)25(30)28-22-13-14-24(29-16-5-6-17-29)23(19-22)26(31)27-15-7-18-32-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyWKMMAVRNJJBVGC-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.65
Rot. Bonds11

About 5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide

5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 42757211) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID42757211
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCCOC)c2)cc1
InChIInChI=1S/C26H35N3O3/c1-3-4-8-20-9-11-21(12-10-20)25(30)28-22-13-14-24(29-16-5-6-17-29)23(19-22)26(31)27-15-7-18-32-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyWKMMAVRNJJBVGC-UHFFFAOYSA-N
XLogP4.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.65
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

N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 4043686
5-[(4-ethylbenzoyl)amino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5135806
N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3291960
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-pentylbenzoyl)amino]benzamide
CID 42756012
N-[(2S)-butan-2-yl]-5-[(4-butylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 7214649
N-butan-2-yl-5-[(4-butylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3483776
5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756154
5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 3349119
5-[(4-butoxybenzoyl)amino]-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 3612260

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide (CID 42757211) is 5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide is CCCCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCCOC)c2)cc1.
What is the InChIKey of 5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is WKMMAVRNJJBVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-3-4-8-20-9-11-21(12-10-20)25(30)28-22-13-14-24(29-16-5-6-17-29)23(19-22)26(31)27-15-7-18-32-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 437.58 g/mol, XLogP of 4.65, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42757211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).