N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide

C16H26N2O3 — CID 14472928

IUPACN-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-4-5-16(20)18-13-6-8-15(9-7-13)21-11-14(19)10-17-12(2)3/h6-9,12,14,17,19H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeySZQPDJRQGAJVTI-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.16
Rot. Bonds9

About N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide

N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide (PubChem CID 14472928) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
PubChem CID14472928
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-4-5-16(20)18-13-6-8-15(9-7-13)21-11-14(19)10-17-12(2)3/h6-9,12,14,17,19H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeySZQPDJRQGAJVTI-UHFFFAOYSA-N
XLogP2.16
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
1-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-propylurea
CID 129396080
(E)-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-(123I)iodobut-3-enamide
CID 11015178
4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide
CID 13388918
N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17202512
N-(4-butoxyphenyl)butanamide
CID 4939679
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
4-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-methyl-4-oxobutanamide
CID 21450221
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide?
The IUPAC name of N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide (CID 14472928) is N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide?
The canonical SMILES for N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide is CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1.
What is the InChIKey of N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide?
The InChIKey is SZQPDJRQGAJVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-5-16(20)18-13-6-8-15(9-7-13)21-11-14(19)10-17-12(2)3/h6-9,12,14,17,19H,4-5,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide?
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide has a molecular weight of 294.39 g/mol, XLogP of 2.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide is sourced from PubChem (CID 14472928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).