ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate

C16H30N2O3 — CID 62028525

IUPACethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(CCC(=O)NC1CCCCC1)C(C)C
InChIInChI=1S/C16H30N2O3/c1-4-21-16(20)12-18(13(2)3)11-10-15(19)17-14-8-6-5-7-9-14/h13-14H,4-12H2,1-3H3,(H,17,19)
InChIKeyQTSZZDDHVILVPT-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.10
Rot. Bonds8

About ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate

ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate (PubChem CID 62028525) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate
PubChem CID62028525
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nameethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(CCC(=O)NC1CCCCC1)C(C)C
InChIInChI=1S/C16H30N2O3/c1-4-21-16(20)12-18(13(2)3)11-10-15(19)17-14-8-6-5-7-9-14/h13-14H,4-12H2,1-3H3,(H,17,19)
InChIKeyQTSZZDDHVILVPT-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 55090982
ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate
CID 62026563
3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 54925805
ethyl 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]acetate
CID 62026180
ethyl 2-[[2-(cyclopentylamino)acetyl]-propan-2-ylamino]acetate
CID 54916597
ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate
CID 62027944
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate
CID 78760581
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011561
ethyl 2-[cyclohexylcarbamoyl(2-methoxyethyl)amino]acetate
CID 115585865
2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60840485
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate (CID 62028525) is ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate is CCOC(=O)CN(CCC(=O)NC1CCCCC1)C(C)C.
What is the InChIKey of ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate?
The InChIKey is QTSZZDDHVILVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-21-16(20)12-18(13(2)3)11-10-15(19)17-14-8-6-5-7-9-14/h13-14H,4-12H2,1-3H3,(H,17,19).
What are the key properties of ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate?
ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate has a molecular weight of 298.43 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 62028525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).