ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate

C16H23NO4 — CID 60718348

IUPACethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate
SMILESCCOC(=O)c1ccc(OC(C)C(=O)NC(C)CC)cc1
InChIInChI=1S/C16H23NO4/c1-5-11(3)17-15(18)12(4)21-14-9-7-13(8-10-14)16(19)20-6-2/h7-12H,5-6H2,1-4H3,(H,17,18)
InChIKeyPIVVZNBFDZOYDM-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.55
Rot. Bonds7

About ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate

ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate (PubChem CID 60718348) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Nameethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate
PubChem CID60718348
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate
SMILESCCOC(=O)c1ccc(OC(C)C(=O)NC(C)CC)cc1
InChIInChI=1S/C16H23NO4/c1-5-11(3)17-15(18)12(4)21-14-9-7-13(8-10-14)16(19)20-6-2/h7-12H,5-6H2,1-4H3,(H,17,18)
InChIKeyPIVVZNBFDZOYDM-UHFFFAOYSA-N
XLogP2.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
ethyl 4-[(2S)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl]oxybenzoate
CID 7471646
ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate
CID 837427
N-butan-2-yl-2-(4-formylphenoxy)propanamide
CID 43117148
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684
ethyl 4-[[(2S)-2-(3,4-dimethylphenoxy)propanoyl]amino]benzoate
CID 889850
methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate
CID 7542209
N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 43419032
ethyl 4-[1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl]oxybenzoate
CID 17396031
ethyl 4-(1-cyanoethoxy)benzoate
CID 60644267
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate (CID 60718348) is ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate is CCOC(=O)c1ccc(OC(C)C(=O)NC(C)CC)cc1.
What is the InChIKey of ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is PIVVZNBFDZOYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-11(3)17-15(18)12(4)21-14-9-7-13(8-10-14)16(19)20-6-2/h7-12H,5-6H2,1-4H3,(H,17,18).
What are the key properties of ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate?
ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 293.36 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 60718348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).