N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide

C25H33N3O3 — CID 42757207

IUPACN-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
SMILESCCC(C(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCOC)c1)c1ccccc1
InChIInChI=1S/C25H33N3O3/c1-3-21(19-10-5-4-6-11-19)25(30)27-20-12-13-23(28-15-7-8-16-28)22(18-20)24(29)26-14-9-17-31-2/h4-6,10-13,18,21H,3,7-9,14-17H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyUNPXFUJQHPPNLU-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.19
Rot. Bonds10

About N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide

N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide (PubChem CID 42757207) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
PubChem CID42757207
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
SMILESCCC(C(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCOC)c1)c1ccccc1
InChIInChI=1S/C25H33N3O3/c1-3-21(19-10-5-4-6-11-19)25(30)27-20-12-13-23(28-15-7-8-16-28)22(18-20)24(29)26-14-9-17-31-2/h4-6,10-13,18,21H,3,7-9,14-17H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyUNPXFUJQHPPNLU-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
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)-2-(4-methylpiperidin-1-yl)-5-(2-phenylbutanoylamino)benzamide
CID 3948470
5-[(2,2-diphenylacetyl)amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3595369
N-[2-(diethylamino)ethyl]-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756097
N-(2-methylpropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42751052
N-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide
CID 1066233
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7230247
5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4990355
5-[(2-methoxybenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 4691580
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
5-[(2-chloro-2-phenylacetyl)amino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755847
N-[[(2S)-oxolan-2-yl]methyl]-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide
CID 1055116

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide (CID 42757207) is N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide is CCC(C(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCOC)c1)c1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is UNPXFUJQHPPNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-3-21(19-10-5-4-6-11-19)25(30)27-20-12-13-23(28-15-7-8-16-28)22(18-20)24(29)26-14-9-17-31-2/h4-6,10-13,18,21H,3,7-9,14-17H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide?
N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 423.56 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42757207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).