N-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide

C21H35N3O2 — CID 71451973

IUPACN-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide
SMILESCCCCC(=O)NC(NC(=O)CCCC)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C21H35N3O2/c1-5-9-11-19(25)22-21(23-20(26)12-10-6-2)17-13-15-18(16-14-17)24(7-3)8-4/h13-16,21H,5-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyNXSGZPGJDDGAMJ-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.14
Rot. Bonds12

About N-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide

N-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide (PubChem CID 71451973) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide
PubChem CID71451973
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC NameN-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide
SMILESCCCCC(=O)NC(NC(=O)CCCC)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C21H35N3O2/c1-5-9-11-19(25)22-21(23-20(26)12-10-6-2)17-13-15-18(16-14-17)24(7-3)8-4/h13-16,21H,5-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyNXSGZPGJDDGAMJ-UHFFFAOYSA-N
XLogP4.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide (CID 71451973) is N-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide is CCCCC(=O)NC(NC(=O)CCCC)c1ccc(N(CC)CC)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide?
The InChIKey is NXSGZPGJDDGAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-5-9-11-19(25)22-21(23-20(26)12-10-6-2)17-13-15-18(16-14-17)24(7-3)8-4/h13-16,21H,5-12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide?
N-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide has a molecular weight of 361.53 g/mol, XLogP of 4.14, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]-(pentanoylamino)methyl]pentanamide is sourced from PubChem (CID 71451973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).