2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide

C18H27N3O2 — CID 86919109

IUPAC2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C18H27N3O2/c1-3-19-16(22)12-21(4-2)13-17(23)20-18(15-10-11-15)14-8-6-5-7-9-14/h5-9,15,18H,3-4,10-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyDIDXUGGCQLAHKD-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.71
Rot. Bonds9

About 2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide

2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide (PubChem CID 86919109) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
PubChem CID86919109
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C18H27N3O2/c1-3-19-16(22)12-21(4-2)13-17(23)20-18(15-10-11-15)14-8-6-5-7-9-14/h5-9,15,18H,3-4,10-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyDIDXUGGCQLAHKD-UHFFFAOYSA-N
XLogP1.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 110899428
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86918867
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
N-ethyl-2-[ethyl-(2-oxo-3-phenylpropyl)amino]acetamide
CID 62030498
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
2-[[(2S)-3-chloro-2-(4-methylpyrazol-1-yl)propyl]-[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]amino]-N-[(R)-cyclopropyl(phenyl)methyl]acetamide
CID 98359604
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38217020
2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide
CID 51091250
2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 87017037

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide (CID 86919109) is 2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)CC(=O)NC(c1ccccc1)C1CC1.
What is the InChIKey of 2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The InChIKey is DIDXUGGCQLAHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-19-16(22)12-21(4-2)13-17(23)20-18(15-10-11-15)14-8-6-5-7-9-14/h5-9,15,18H,3-4,10-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide has a molecular weight of 317.43 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 86919109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).