N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide

C16H26N2O2 — CID 63323400

IUPACN,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
SMILESCc1ccc(OCCC(=O)N(C)C)c(CNC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)17-11-14-10-13(3)6-7-15(14)20-9-8-16(19)18(4)5/h6-7,10,12,17H,8-9,11H2,1-5H3
InChIKeyMFJDUBFFKDIIOE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.35
Rot. Bonds7

About N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide

N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide (PubChem CID 63323400) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
PubChem CID63323400
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
SMILESCc1ccc(OCCC(=O)N(C)C)c(CNC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)17-11-14-10-13(3)6-7-15(14)20-9-8-16(19)18(4)5/h6-7,10,12,17H,8-9,11H2,1-5H3
InChIKeyMFJDUBFFKDIIOE-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate
CID 63949714
3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63325860
N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine
CID 55204171
N-cyclopropyl-N-methyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 63323656
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine
CID 81105702
N-[[2-(4-methoxybutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 104647081
N-[[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 63326742
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63366501
propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate
CID 63323185
3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 63640822
N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 63326538
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide (CID 63323400) is N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide is Cc1ccc(OCCC(=O)N(C)C)c(CNC(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide?
The InChIKey is MFJDUBFFKDIIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)17-11-14-10-13(3)6-7-15(14)20-9-8-16(19)18(4)5/h6-7,10,12,17H,8-9,11H2,1-5H3.
What are the key properties of N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide?
N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide is sourced from PubChem (CID 63323400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).