2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide

C16H25ClN2O2 — CID 43278038

IUPAC2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(Cl)cc1CNC(C)C
InChIInChI=1S/C16H25ClN2O2/c1-5-8-18-16(20)12(4)21-15-7-6-14(17)9-13(15)10-19-11(2)3/h6-7,9,11-12,19H,5,8,10H2,1-4H3,(H,18,20)
InChIKeyNNUBTVBIHQKIPX-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.13
Rot. Bonds8

About 2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide

2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide (PubChem CID 43278038) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide
PubChem CID43278038
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(Cl)cc1CNC(C)C
InChIInChI=1S/C16H25ClN2O2/c1-5-8-18-16(20)12(4)21-15-7-6-14(17)9-13(15)10-19-11(2)3/h6-7,9,11-12,19H,5,8,10H2,1-4H3,(H,18,20)
InChIKeyNNUBTVBIHQKIPX-UHFFFAOYSA-N
XLogP3.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-2-(propylaminomethyl)phenoxy]-N-propylpropanamide
CID 43277990
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 43277867
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
CID 54929160
[(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 8978186
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60881074
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine
CID 43278029
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 43278086
N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43324858
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide?
The IUPAC name of 2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide (CID 43278038) is 2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc(Cl)cc1CNC(C)C.
What is the InChIKey of 2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide?
The InChIKey is NNUBTVBIHQKIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-5-8-18-16(20)12(4)21-15-7-6-14(17)9-13(15)10-19-11(2)3/h6-7,9,11-12,19H,5,8,10H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide?
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide has a molecular weight of 312.84 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide is sourced from PubChem (CID 43278038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).