ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate

C15H24N2O3 — CID 103387754

IUPACethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(CCCN)COC)cc1
InChIInChI=1S/C15H24N2O3/c1-3-20-15(18)12-6-8-13(9-7-12)17-14(11-19-2)5-4-10-16/h6-9,14,17H,3-5,10-11,16H2,1-2H3
InChIKeyOJJNPAJNNAMHSO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.03
Rot. Bonds9

About ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate

ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate (PubChem CID 103387754) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate
PubChem CID103387754
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(CCCN)COC)cc1
InChIInChI=1S/C15H24N2O3/c1-3-20-15(18)12-6-8-13(9-7-12)17-14(11-19-2)5-4-10-16/h6-9,14,17H,3-5,10-11,16H2,1-2H3
InChIKeyOJJNPAJNNAMHSO-UHFFFAOYSA-N
XLogP2.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
CID 103388125
ethyl 4-[1-(hydrazinecarbonyloxy)hexan-2-ylamino]benzoate
CID 146224133
2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide
CID 103388398
ethyl 4-(hexadecan-3-ylamino)benzoate
CID 23457806
ethyl 4-(2,6-dimethylheptan-4-ylamino)benzoate
CID 43321695
ethyl 4-(1-aminopropan-2-ylamino)benzoate
CID 103387755
5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
CID 103388414
ethyl 4-[(2-amino-3-methoxypropanoyl)amino]benzoate
CID 81088417
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide
CID 103388775
N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
CID 103387932
methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate
CID 103388068
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate (CID 103387754) is ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate is CCOC(=O)c1ccc(NC(CCCN)COC)cc1.
What is the InChIKey of ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate?
The InChIKey is OJJNPAJNNAMHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-20-15(18)12-6-8-13(9-7-12)17-14(11-19-2)5-4-10-16/h6-9,14,17H,3-5,10-11,16H2,1-2H3.
What are the key properties of ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate?
ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate has a molecular weight of 280.37 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate is sourced from PubChem (CID 103387754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).