2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide

C20H28N2O2 — CID 87017037

IUPAC2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide
SMILESO=C(CN(CC1CCOC1)C1CC1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C20H28N2O2/c23-19(13-22(18-8-9-18)12-15-10-11-24-14-15)21-20(17-6-7-17)16-4-2-1-3-5-16/h1-5,15,17-18,20H,6-14H2,(H,21,23)
InChIKeyWATARSDPUVRLPL-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.75
Rot. Bonds8

About 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide

2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide (PubChem CID 87017037) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide
PubChem CID87017037
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide
SMILESO=C(CN(CC1CCOC1)C1CC1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C20H28N2O2/c23-19(13-22(18-8-9-18)12-15-10-11-24-14-15)21-20(17-6-7-17)16-4-2-1-3-5-16/h1-5,15,17-18,20H,6-14H2,(H,21,23)
InChIKeyWATARSDPUVRLPL-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl(phenyl)methyl]-2-[cyclopropyl(oxolan-3-ylmethyl)amino]acetamide
CID 78897244
2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide
CID 51728486
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 110899428
N-cyclopropyl-2-[cyclopropyl(oxolan-3-ylmethyl)amino]acetamide
CID 51080751
1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea
CID 87000160
N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide
CID 51946798
2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 86919109
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 110892135
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine
CID 62384702
1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone
CID 94177929
1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936515

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide?
The IUPAC name of 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide (CID 87017037) is 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide is O=C(CN(CC1CCOC1)C1CC1)NC(c1ccccc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide?
The InChIKey is WATARSDPUVRLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19(13-22(18-8-9-18)12-15-10-11-24-14-15)21-20(17-6-7-17)16-4-2-1-3-5-16/h1-5,15,17-18,20H,6-14H2,(H,21,23).
What are the key properties of 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide?
2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide has a molecular weight of 328.46 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide is sourced from PubChem (CID 87017037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).