[2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

C19H25NO3 — CID 8588218

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CC1)NCC1CCCCC1
InChIInChI=1S/C19H25NO3/c21-17(20-13-15-7-3-1-4-8-15)14-23-18(22)19(11-12-19)16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2,(H,20,21)
InChIKeyDVFKPFBBRSRPTC-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.96
Rot. Bonds6

About [2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

[2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (PubChem CID 8588218) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
PubChem CID8588218
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CC1)NCC1CCCCC1
InChIInChI=1S/C19H25NO3/c21-17(20-13-15-7-3-1-4-8-15)14-23-18(22)19(11-12-19)16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2,(H,20,21)
InChIKeyDVFKPFBBRSRPTC-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8807699
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
CID 55319435
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589546
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8641781
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455322
[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8559345
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 106124685
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
[2-(4-chloroanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588474
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate
CID 2113866

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (CID 8588218) is [2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2)CC1)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The InChIKey is DVFKPFBBRSRPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-17(20-13-15-7-3-1-4-8-15)14-23-18(22)19(11-12-19)16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2,(H,20,21).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 8588218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).