N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide

C16H24N2O2 — CID 82315413

IUPACN-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(O)C(CC)NC2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-14(17-12-9-10-12)16(20)11-5-7-13(8-6-11)18-15(19)4-2/h5-8,12,14,16-17,20H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyIFGPYHDCGDSWCH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.60
Rot. Bonds7

About N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide

N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide (PubChem CID 82315413) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide
PubChem CID82315413
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(O)C(CC)NC2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-14(17-12-9-10-12)16(20)11-5-7-13(8-6-11)18-15(19)4-2/h5-8,12,14,16-17,20H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyIFGPYHDCGDSWCH-UHFFFAOYSA-N
XLogP2.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(cyclopropylamino)propyl]phenyl]propanamide
CID 82262619
2-(cyclohexylamino)-1-phenylbutan-1-ol
CID 82312145
N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide
CID 82315401
N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide
CID 82315397
2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
CID 82313590
N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606
3-(cyclohexylamino)-4-hydroxy-4-(4-methylphenyl)butanoic acid
CID 82347449
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid
CID 82314656
N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 43720580
N-[4-[1-hydroxy-2-(2-methoxyethylamino)propyl]phenyl]propanamide
CID 82315404

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide (CID 82315413) is N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(O)C(CC)NC2CC2)cc1.
What is the InChIKey of N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide?
The InChIKey is IFGPYHDCGDSWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-14(17-12-9-10-12)16(20)11-5-7-13(8-6-11)18-15(19)4-2/h5-8,12,14,16-17,20H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide?
N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide is sourced from PubChem (CID 82315413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).