methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate

C15H20N2O3 — CID 63887290

IUPACmethyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC1CCCNC(=O)C1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)14(11-6-3-2-4-7-11)17-12-8-5-9-16-13(18)10-12/h2-4,6-7,12,14,17H,5,8-10H2,1H3,(H,16,18)
InChIKeySZYPPRSHJXAKKB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.16
Rot. Bonds4

About methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate

methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate (PubChem CID 63887290) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate
PubChem CID63887290
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC1CCCNC(=O)C1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)14(11-6-3-2-4-7-11)17-12-8-5-9-16-13(18)10-12/h2-4,6-7,12,14,17H,5,8-10H2,1H3,(H,16,18)
InChIKeySZYPPRSHJXAKKB-UHFFFAOYSA-N
XLogP1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate
CID 63903144
4-[1-(3-bromophenyl)ethylamino]azepan-2-one
CID 63903898
methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate
CID 98077087
methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
CID 116857371
methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 107068110
methyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 71308112
4-[[(1S)-1-thiophen-2-ylethyl]amino]azepan-2-one
CID 81409038
methyl 2-(cyclohexylamino)-2-(4-methylsulfanylphenyl)acetate
CID 60997375
4-[1-(3,4-dimethoxyphenyl)ethylamino]azepan-2-one
CID 63905225

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate (CID 63887290) is methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate is COC(=O)C(NC1CCCNC(=O)C1)c1ccccc1.
What is the InChIKey of methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate?
The InChIKey is SZYPPRSHJXAKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-15(19)14(11-6-3-2-4-7-11)17-12-8-5-9-16-13(18)10-12/h2-4,6-7,12,14,17H,5,8-10H2,1H3,(H,16,18).
What are the key properties of methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate?
methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate has a molecular weight of 276.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate is sourced from PubChem (CID 63887290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).