ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate

C15H22N2O3 — CID 62498045

IUPACethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(N)c1)C(C)C
InChIInChI=1S/C15H22N2O3/c1-4-20-15(19)10-17(11(2)3)14(18)9-12-6-5-7-13(16)8-12/h5-8,11H,4,9-10,16H2,1-3H3
InChIKeyHPHNZEVVFZVJAX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.61
Rot. Bonds6

About ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate

ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate (PubChem CID 62498045) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate
PubChem CID62498045
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(N)c1)C(C)C
InChIInChI=1S/C15H22N2O3/c1-4-20-15(19)10-17(11(2)3)14(18)9-12-6-5-7-13(16)8-12/h5-8,11H,4,9-10,16H2,1-3H3
InChIKeyHPHNZEVVFZVJAX-UHFFFAOYSA-N
XLogP1.61
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide
CID 62498182
ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate
CID 54915824
2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82947951
methyl 2-[3-(3-aminophenyl)propanoyl-propan-2-ylamino]acetate
CID 80701573
ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate
CID 61021189
ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate
CID 14856859
ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
CID 19778949
3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide
CID 43309224
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide
CID 62499334
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate
CID 61158556
2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 119198334
ethyl 4-(3-aminophenyl)butanoate
CID 66895353

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate (CID 62498045) is ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)Cc1cccc(N)c1)C(C)C.
What is the InChIKey of ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate?
The InChIKey is HPHNZEVVFZVJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-20-15(19)10-17(11(2)3)14(18)9-12-6-5-7-13(16)8-12/h5-8,11H,4,9-10,16H2,1-3H3.
What are the key properties of ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate?
ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate has a molecular weight of 278.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 62498045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).