N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide

C16H26N2O — CID 43782865

IUPACN-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide
SMILESCCC(Nc1ccccc1CN(C)C(C)=O)C(C)C
InChIInChI=1S/C16H26N2O/c1-6-15(12(2)3)17-16-10-8-7-9-14(16)11-18(5)13(4)19/h7-10,12,15,17H,6,11H2,1-5H3
InChIKeyRBKHFLJALZMXPO-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.51
Rot. Bonds6

About N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide

N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide (PubChem CID 43782865) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide
PubChem CID43782865
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide
SMILESCCC(Nc1ccccc1CN(C)C(C)=O)C(C)C
InChIInChI=1S/C16H26N2O/c1-6-15(12(2)3)17-16-10-8-7-9-14(16)11-18(5)13(4)19/h7-10,12,15,17H,6,11H2,1-5H3
InChIKeyRBKHFLJALZMXPO-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide
CID 43692049
N-[[2-[1-(furan-2-yl)ethylamino]phenyl]methyl]-N-methylacetamide
CID 43692114
N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide
CID 62999124
(2R)-2-[[2-[[acetyl(methyl)amino]methyl]phenyl]carbamoylamino]-N-[(2R)-butan-2-yl]propanamide
CID 94959778
N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide
CID 115916620
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide
CID 80543349
N-methyl-N-[[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methyl]acetamide
CID 43692128
N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide
CID 79537724
N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide
CID 116500960
methyl 2-(2-methylpentan-3-ylamino)benzoate
CID 43774537
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide
CID 62832902
N-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 62345794

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide (CID 43782865) is N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide is CCC(Nc1ccccc1CN(C)C(C)=O)C(C)C.
What is the InChIKey of N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide?
The InChIKey is RBKHFLJALZMXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-15(12(2)3)17-16-10-8-7-9-14(16)11-18(5)13(4)19/h7-10,12,15,17H,6,11H2,1-5H3.
What are the key properties of N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide?
N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 43782865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).