N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide

C16H26N2O2 — CID 86929497

IUPACN-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-13(2)20-11-10-16(19)17-15(12-18(3)4)14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H,17,19)
InChIKeyKXXZCJSQAFTCIC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.22
Rot. Bonds8

About N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide

N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide (PubChem CID 86929497) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide
PubChem CID86929497
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-13(2)20-11-10-16(19)17-15(12-18(3)4)14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H,17,19)
InChIKeyKXXZCJSQAFTCIC-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide
CID 82851272
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8936932
N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide
CID 24504307
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840
phenyl N-[2-(dimethylamino)-1-phenylethyl]carbamate
CID 60676334
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535
N-[2-(dimethylamino)-1-phenylethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958162
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide
CID 63324351
2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride
CID 119836132
2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936701
2-(4-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936319
4-bromo-N-[3-[[(1R)-2-(dimethylamino)-1-phenylethyl]amino]-3-oxopropyl]benzamide
CID 8937317

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide (CID 86929497) is N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)NC(CN(C)C)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide?
The InChIKey is KXXZCJSQAFTCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)20-11-10-16(19)17-15(12-18(3)4)14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide?
N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 86929497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).