N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide

C25H35N3O3 — CID 7212901

IUPACN-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N(CCCC)Cc2ccco2)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C25H35N3O3/c1-3-5-11-24(29)26-20-12-13-23(22(18-20)25(30)27-15-7-8-16-27)28(14-6-4-2)19-21-10-9-17-31-21/h9-10,12-13,17-18H,3-8,11,14-16,19H2,1-2H3,(H,26,29)
InChIKeyPGBXIPFLDOLQOX-UHFFFAOYSA-N
MW425.57 g/mol
LogP5.45
Rot. Bonds11

About N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide

N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide (PubChem CID 7212901) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
PubChem CID7212901
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC NameN-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N(CCCC)Cc2ccco2)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C25H35N3O3/c1-3-5-11-24(29)26-20-12-13-23(22(18-20)25(30)27-15-7-8-16-27)28(14-6-4-2)19-21-10-9-17-31-21/h9-10,12-13,17-18H,3-8,11,14-16,19H2,1-2H3,(H,26,29)
InChIKeyPGBXIPFLDOLQOX-UHFFFAOYSA-N
XLogP5.45
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]octanamide
CID 42781947
N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]-3-fluorobenzamide
CID 4638411
N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]-2,4-dichlorobenzamide
CID 42781945
3-bromo-N-[4-[butyl(furan-2-ylmethyl)amino]-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42781928
N-[4-[butyl(furan-2-ylmethyl)amino]-3-(piperidine-1-carbonyl)phenyl]-4-pentylbenzamide
CID 42665495
1-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dichlorophenyl)urea
CID 4652215
1-[4-[butyl(furan-2-ylmethyl)amino]-3-(piperidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 3438761
2-[butyl(furan-2-ylmethyl)amino]-5-(octanoylamino)-N-propylbenzamide
CID 42665499
2-[butyl(furan-2-ylmethyl)amino]-5-(dimethylcarbamoylamino)-N-propylbenzamide
CID 5028922
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide
CID 42747271
2-[butyl(furan-2-ylmethyl)amino]-5-[(2,2-dichloroacetyl)amino]-N-propylbenzamide
CID 4316600
2-[butyl(furan-2-ylmethyl)amino]-5-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 42781999

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide?
The IUPAC name of N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide (CID 7212901) is N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide.
What is the SMILES notation for N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide?
The canonical SMILES for N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide is CCCCC(=O)Nc1ccc(N(CCCC)Cc2ccco2)c(C(=O)N2CCCC2)c1.
What is the InChIKey of N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide?
The InChIKey is PGBXIPFLDOLQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-3-5-11-24(29)26-20-12-13-23(22(18-20)25(30)27-15-7-8-16-27)28(14-6-4-2)19-21-10-9-17-31-21/h9-10,12-13,17-18H,3-8,11,14-16,19H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide?
N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide has a molecular weight of 425.57 g/mol, XLogP of 5.45, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide is sourced from PubChem (CID 7212901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).