N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide

C17H26N2O3 — CID 113052545

IUPACN-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide
SMILESCC(=O)N(CCNC(=O)CCOc1ccccc1)CC(C)C
InChIInChI=1S/C17H26N2O3/c1-14(2)13-19(15(3)20)11-10-18-17(21)9-12-22-16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,18,21)
InChIKeyLDGLGQNOGWTCDV-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.08
Rot. Bonds9

About N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide

N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide (PubChem CID 113052545) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide
PubChem CID113052545
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide
SMILESCC(=O)N(CCNC(=O)CCOc1ccccc1)CC(C)C
InChIInChI=1S/C17H26N2O3/c1-14(2)13-19(15(3)20)11-10-18-17(21)9-12-22-16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,18,21)
InChIKeyLDGLGQNOGWTCDV-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide
CID 113052541
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide
CID 113055446
N-[2-[acetyl-[(2-fluorophenyl)methyl]amino]ethyl]-3-phenoxypropanamide
CID 113054565
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide
CID 113057079
1,1-bis(2-methylpropyl)-3-(2-phenoxyethyl)urea
CID 108887104
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113058113
1,1-bis(2-methylpropyl)-3-(3-phenoxypropyl)urea
CID 108883218
N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide
CID 113058428
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113057798
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide (CID 113052545) is N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide is CC(=O)N(CCNC(=O)CCOc1ccccc1)CC(C)C.
What is the InChIKey of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide?
The InChIKey is LDGLGQNOGWTCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14(2)13-19(15(3)20)11-10-18-17(21)9-12-22-16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide?
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide has a molecular weight of 306.41 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 113052545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).