3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide

C17H28N2O2 — CID 60852899

IUPAC3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCC(C)NCCC(=O)NC(C)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-12(2)18-10-9-17(20)19-14(5)15-7-6-8-16(11-15)21-13(3)4/h6-8,11-14,18H,9-10H2,1-5H3,(H,19,20)
InChIKeyARZMGHSGUKGBPY-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.04
Rot. Bonds8

About 3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide

3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide (PubChem CID 60852899) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
PubChem CID60852899
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCC(C)NCCC(=O)NC(C)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-12(2)18-10-9-17(20)19-14(5)15-7-6-8-16(11-15)21-13(3)4/h6-8,11-14,18H,9-10H2,1-5H3,(H,19,20)
InChIKeyARZMGHSGUKGBPY-UHFFFAOYSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 63307817
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705
N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 66195262
4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 55713603
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478901
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 119745540
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 55713351
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
2-methyl-N-[2-oxo-2-[[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]amino]ethyl]furan-3-carboxamide
CID 94488168

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide (CID 60852899) is 3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide is CC(C)NCCC(=O)NC(C)c1cccc(OC(C)C)c1.
What is the InChIKey of 3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide?
The InChIKey is ARZMGHSGUKGBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)18-10-9-17(20)19-14(5)15-7-6-8-16(11-15)21-13(3)4/h6-8,11-14,18H,9-10H2,1-5H3,(H,19,20).
What are the key properties of 3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide?
3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide has a molecular weight of 292.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide is sourced from PubChem (CID 60852899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).