ethyl 2-[benzyl(cycloheptyl)amino]acetate

C18H27NO2 — CID 82925724

IUPACethyl 2-[benzyl(cycloheptyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C1CCCCCC1
InChIInChI=1S/C18H27NO2/c1-2-21-18(20)15-19(14-16-10-6-5-7-11-16)17-12-8-3-4-9-13-17/h5-7,10-11,17H,2-4,8-9,12-15H2,1H3
InChIKeyPCKAUAKEMLOCLB-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.77
Rot. Bonds6

About ethyl 2-[benzyl(cycloheptyl)amino]acetate

ethyl 2-[benzyl(cycloheptyl)amino]acetate (PubChem CID 82925724) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is ethyl 2-[benzyl(cycloheptyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl(cycloheptyl)amino]acetate
PubChem CID82925724
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nameethyl 2-[benzyl(cycloheptyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C1CCCCCC1
InChIInChI=1S/C18H27NO2/c1-2-21-18(20)15-19(14-16-10-6-5-7-11-16)17-12-8-3-4-9-13-17/h5-7,10-11,17H,2-4,8-9,12-15H2,1H3
InChIKeyPCKAUAKEMLOCLB-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60697552
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2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
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2-[benzyl(cyclohexyl)amino]-N-cyclopropylacetamide
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ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate
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3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate
CID 10762341
methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
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ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
CID 60725115
N,N-dibenzylcyclobutanamine
CID 70822586

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(cycloheptyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl(cycloheptyl)amino]acetate (CID 82925724) is ethyl 2-[benzyl(cycloheptyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl(cycloheptyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl(cycloheptyl)amino]acetate is CCOC(=O)CN(Cc1ccccc1)C1CCCCCC1.
What is the InChIKey of ethyl 2-[benzyl(cycloheptyl)amino]acetate?
The InChIKey is PCKAUAKEMLOCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-21-18(20)15-19(14-16-10-6-5-7-11-16)17-12-8-3-4-9-13-17/h5-7,10-11,17H,2-4,8-9,12-15H2,1H3.
What are the key properties of ethyl 2-[benzyl(cycloheptyl)amino]acetate?
ethyl 2-[benzyl(cycloheptyl)amino]acetate has a molecular weight of 289.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(cycloheptyl)amino]acetate is sourced from PubChem (CID 82925724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).