propan-2-yl 2-(1-cyclohexylpropylamino)acetate

C14H27NO2 — CID 62405403

IUPACpropan-2-yl 2-(1-cyclohexylpropylamino)acetate
SMILESCCC(NCC(=O)OC(C)C)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-4-13(12-8-6-5-7-9-12)15-10-14(16)17-11(2)3/h11-13,15H,4-10H2,1-3H3
InChIKeySJLQBTSPAHZEMT-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds6

About propan-2-yl 2-(1-cyclohexylpropylamino)acetate

propan-2-yl 2-(1-cyclohexylpropylamino)acetate (PubChem CID 62405403) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is propan-2-yl 2-(1-cyclohexylpropylamino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(1-cyclohexylpropylamino)acetate
PubChem CID62405403
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namepropan-2-yl 2-(1-cyclohexylpropylamino)acetate
SMILESCCC(NCC(=O)OC(C)C)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-4-13(12-8-6-5-7-9-12)15-10-14(16)17-11(2)3/h11-13,15H,4-10H2,1-3H3
InChIKeySJLQBTSPAHZEMT-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cyclohexylpropylamino)methyl]prop-2-enoic acid
CID 103249992
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124
3-(1-cyclohexylpropylamino)propanamide
CID 62407529
N-(1-cyclohexylpropyl)acetamide
CID 45119320
propan-2-yl 2-(cyclopentanecarbonylamino)acetate
CID 56808767
1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 62407006
2-amino-3-(1-cyclohexylpropylamino)propanoic acid
CID 103249979
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
methyl 2-[[(1S)-1-cyclopentylethyl]amino]acetate
CID 81395951
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 62405754

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1-cyclohexylpropylamino)acetate?
The IUPAC name of propan-2-yl 2-(1-cyclohexylpropylamino)acetate (CID 62405403) is propan-2-yl 2-(1-cyclohexylpropylamino)acetate.
What is the SMILES notation for propan-2-yl 2-(1-cyclohexylpropylamino)acetate?
The canonical SMILES for propan-2-yl 2-(1-cyclohexylpropylamino)acetate is CCC(NCC(=O)OC(C)C)C1CCCCC1.
What is the InChIKey of propan-2-yl 2-(1-cyclohexylpropylamino)acetate?
The InChIKey is SJLQBTSPAHZEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-13(12-8-6-5-7-9-12)15-10-14(16)17-11(2)3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of propan-2-yl 2-(1-cyclohexylpropylamino)acetate?
propan-2-yl 2-(1-cyclohexylpropylamino)acetate has a molecular weight of 241.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1-cyclohexylpropylamino)acetate is sourced from PubChem (CID 62405403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).