N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide

C16H27N3O — CID 79202648

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCCN(c1ccc(NC(=O)C(C)CNC)cc1)C(C)C
InChIInChI=1S/C16H27N3O/c1-6-19(12(2)3)15-9-7-14(8-10-15)18-16(20)13(4)11-17-5/h7-10,12-13,17H,6,11H2,1-5H3,(H,18,20)
InChIKeyDAEDRRZJPRRNKJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.72
Rot. Bonds7

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 79202648) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
PubChem CID79202648
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCCN(c1ccc(NC(=O)C(C)CNC)cc1)C(C)C
InChIInChI=1S/C16H27N3O/c1-6-19(12(2)3)15-9-7-14(8-10-15)18-16(20)13(4)11-17-5/h7-10,12-13,17H,6,11H2,1-5H3,(H,18,20)
InChIKeyDAEDRRZJPRRNKJ-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
CID 62727901
N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79203975
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672677
2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 79196433
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981
2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide
CID 18279632
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890686
2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79804762

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide (CID 79202648) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide is CCN(c1ccc(NC(=O)C(C)CNC)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is DAEDRRZJPRRNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-19(12(2)3)15-9-7-14(8-10-15)18-16(20)13(4)11-17-5/h7-10,12-13,17H,6,11H2,1-5H3,(H,18,20).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79202648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).