N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide

C15H24N2O2 — CID 82315401

IUPACN-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(O)C(C)NC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-5-14(18)17-13-8-6-12(7-9-13)15(19)11(4)16-10(2)3/h6-11,15-16,19H,5H2,1-4H3,(H,17,18)
InChIKeyDKWWBCYGWMWYOL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.45
Rot. Bonds6

About N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide

N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide (PubChem CID 82315401) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide
PubChem CID82315401
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(O)C(C)NC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-5-14(18)17-13-8-6-12(7-9-13)15(19)11(4)16-10(2)3/h6-11,15-16,19H,5H2,1-4H3,(H,17,18)
InChIKeyDKWWBCYGWMWYOL-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide
CID 82315397
N-[4-[1-hydroxy-2-(2-methoxyethylamino)propyl]phenyl]propanamide
CID 82315404
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 112514141
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide
CID 82315413
3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
CID 46468381
3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide
CID 110178597
N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide
CID 43720632
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 119296177
ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
CID 172566048

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide?
The IUPAC name of N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide (CID 82315401) is N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide?
The canonical SMILES for N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(O)C(C)NC(C)C)cc1.
What is the InChIKey of N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide?
The InChIKey is DKWWBCYGWMWYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-14(18)17-13-8-6-12(7-9-13)15(19)11(4)16-10(2)3/h6-11,15-16,19H,5H2,1-4H3,(H,17,18).
What are the key properties of N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide?
N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide is sourced from PubChem (CID 82315401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).