N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide

C16H26N2O2 — CID 51242961

IUPACN-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(C)CCOc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-13(15(19)17-16(2,3)4)18(5)11-12-20-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3,(H,17,19)
InChIKeyZQZQBDBEUVSENP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.30
Rot. Bonds6

About N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide

N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide (PubChem CID 51242961) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
PubChem CID51242961
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(C)CCOc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-13(15(19)17-16(2,3)4)18(5)11-12-20-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3,(H,17,19)
InChIKeyZQZQBDBEUVSENP-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 92514457
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 18083553
(2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide
CID 98700243
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-phenylphenyl)propanamide
CID 8514606
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8514684
N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 17437572
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 8514636
(2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8797312
N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 24506649
N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 51245206
(2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 37115733
N-benzyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]propanamide
CID 74519943

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide (CID 51242961) is N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide is CC(C(=O)NC(C)(C)C)N(C)CCOc1ccccc1.
What is the InChIKey of N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide?
The InChIKey is ZQZQBDBEUVSENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(15(19)17-16(2,3)4)18(5)11-12-20-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide?
N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide is sourced from PubChem (CID 51242961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).