methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate

C17H25NO2 — CID 65080240

IUPACmethyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC1CCCC(C)CC1)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-13-7-6-10-15(12-11-13)18-16(17(19)20-2)14-8-4-3-5-9-14/h3-5,8-9,13,15-16,18H,6-7,10-12H2,1-2H3
InChIKeyNHJCAPFKPAXPHN-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.46
Rot. Bonds4

About methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate

methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate (PubChem CID 65080240) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
PubChem CID65080240
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC1CCCC(C)CC1)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-13-7-6-10-15(12-11-13)18-16(17(19)20-2)14-8-4-3-5-9-14/h3-5,8-9,13,15-16,18H,6-7,10-12H2,1-2H3
InChIKeyNHJCAPFKPAXPHN-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid
CID 65080241
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
methyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 71308112
methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
CID 116857371
methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate
CID 98077087
methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate
CID 63887290
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate
CID 115618836
methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate
CID 79161746
methyl 2-(cyclohexylamino)-2-(4-methylsulfanylphenyl)acetate
CID 60997375
ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate
CID 71740166

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate (CID 65080240) is methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate is COC(=O)C(NC1CCCC(C)CC1)c1ccccc1.
What is the InChIKey of methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate?
The InChIKey is NHJCAPFKPAXPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-7-6-10-15(12-11-13)18-16(17(19)20-2)14-8-4-3-5-9-14/h3-5,8-9,13,15-16,18H,6-7,10-12H2,1-2H3.
What are the key properties of methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate?
methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate has a molecular weight of 275.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate is sourced from PubChem (CID 65080240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).