N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide

C15H24N2O — CID 106910393

IUPACN-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(CNC(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-5-6-15(18)17-14-9-7-13(8-10-14)11-16-12(2)3/h7-10,12,16H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyQJHYPYXGTFJENC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.31
Rot. Bonds7

About N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide

N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide (PubChem CID 106910393) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide
PubChem CID106910393
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(CNC(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-5-6-15(18)17-14-9-7-13(8-10-14)11-16-12(2)3/h7-10,12,16H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyQJHYPYXGTFJENC-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(chloromethyl)phenyl]pentanamide
CID 86032460
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
N-(4-heptylphenyl)heptanamide
CID 101077737
N-(4-propan-2-ylsulfonylphenyl)pentanamide
CID 110778701
3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide
CID 106910402
2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 15498276
N-(4-acetamidophenyl)hexanamide
CID 4953736
3-[4-(pentanoylamino)phenyl]butanoic acid
CID 113419992

Frequently Asked Questions

What is the IUPAC name of N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide?
The IUPAC name of N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide (CID 106910393) is N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(CNC(C)C)cc1.
What is the InChIKey of N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide?
The InChIKey is QJHYPYXGTFJENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-6-15(18)17-14-9-7-13(8-10-14)11-16-12(2)3/h7-10,12,16H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide?
N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide has a molecular weight of 248.37 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide is sourced from PubChem (CID 106910393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).