2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide

C16H26N2O3 — CID 43472036

IUPAC2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCOc1cccc(CNC(C)C)c1OC(C)C(=O)N(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)17-10-13-8-7-9-14(20-6)15(13)21-12(3)16(19)18(4)5/h7-9,11-12,17H,10H2,1-6H3
InChIKeyYEULQZVFZOFDHC-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.05
Rot. Bonds7

About 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide

2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide (PubChem CID 43472036) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
PubChem CID43472036
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCOc1cccc(CNC(C)C)c1OC(C)C(=O)N(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)17-10-13-8-7-9-14(20-6)15(13)21-12(3)16(19)18(4)5/h7-9,11-12,17H,10H2,1-6H3
InChIKeyYEULQZVFZOFDHC-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid
CID 43471727
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide
CID 112609537
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 43277603
N-[(3-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 43472048
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide
CID 61464281
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
CID 43471966
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43472032
5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 62228603
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 115954792
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
CID 60889954
N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807461

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide (CID 43472036) is 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide is COc1cccc(CNC(C)C)c1OC(C)C(=O)N(C)C.
What is the InChIKey of 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The InChIKey is YEULQZVFZOFDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)17-10-13-8-7-9-14(20-6)15(13)21-12(3)16(19)18(4)5/h7-9,11-12,17H,10H2,1-6H3.
What are the key properties of 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 43472036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).