5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide

C28H38N4O4 — CID 4039742

IUPAC5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCN3CCOCC3)c2)cc1
InChIInChI=1S/C28H38N4O4/c1-2-3-18-36-24-9-6-22(7-10-24)27(33)30-23-8-11-26(32-13-4-5-14-32)25(21-23)28(34)29-12-15-31-16-19-35-20-17-31/h6-11,21H,2-5,12-20H2,1H3,(H,29,34)(H,30,33)
InChIKeyKZVZJHYBHZYZED-UHFFFAOYSA-N
MW494.64 g/mol
LogP3.78
Rot. Bonds11

About 5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide

5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 4039742) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID4039742
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Name5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCN3CCOCC3)c2)cc1
InChIInChI=1S/C28H38N4O4/c1-2-3-18-36-24-9-6-22(7-10-24)27(33)30-23-8-11-26(32-13-4-5-14-32)25(21-23)28(34)29-12-15-31-16-19-35-20-17-31/h6-11,21H,2-5,12-20H2,1H3,(H,29,34)(H,30,33)
InChIKeyKZVZJHYBHZYZED-UHFFFAOYSA-N
XLogP3.78
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42751288
5-[(4-butoxybenzoyl)amino]-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 3612260
N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42751272
5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751409
5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1063900
methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate
CID 7328734
5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751410
5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 3321862
5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1064254
2-(4-benzylpiperazin-1-yl)-5-[(4-ethylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 1063963
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42757211

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide (CID 4039742) is 5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide is CCCCOc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCN3CCOCC3)c2)cc1.
What is the InChIKey of 5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is KZVZJHYBHZYZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-2-3-18-36-24-9-6-22(7-10-24)27(33)30-23-8-11-26(32-13-4-5-14-32)25(21-23)28(34)29-12-15-31-16-19-35-20-17-31/h6-11,21H,2-5,12-20H2,1H3,(H,29,34)(H,30,33).
What are the key properties of 5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide?
5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 494.64 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 4039742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).