ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate

C16H23NO4 — CID 61343512

IUPACethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-5-20-16(19)12(4)17-15(18)13-6-8-14(9-7-13)21-10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,17,18)
InChIKeyPZADVWKVWJUQCT-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.40
Rot. Bonds7

About ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate

ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate (PubChem CID 61343512) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
PubChem CID61343512
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-5-20-16(19)12(4)17-15(18)13-6-8-14(9-7-13)21-10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,17,18)
InChIKeyPZADVWKVWJUQCT-UHFFFAOYSA-N
XLogP2.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
ethyl 2-[(4-bromobenzoyl)amino]propanoate
CID 19166830
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
CID 4935435
3-hydroxy-2-[[4-(2-methylpropoxy)benzoyl]amino]butanoic acid
CID 43091833
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
ethyl (2S)-2-[(4-butoxybenzoyl)amino]-4-methylpentanoate
CID 54314301
ethyl (2R,3R)-2-[(4-butoxybenzoyl)amino]-3-hydroxybutanoate
CID 95635789
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
ethyl 2-[(4-ethoxybenzoyl)amino]-3-oxobutanoate
CID 155594219
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
ethyl 2-[[4-[[(2S)-2-amino-4-methylpentanoyl]amino]benzoyl]amino]propanoate
CID 119806799

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate?
The IUPAC name of ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate (CID 61343512) is ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate is CCOC(=O)C(C)NC(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate?
The InChIKey is PZADVWKVWJUQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-20-16(19)12(4)17-15(18)13-6-8-14(9-7-13)21-10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,17,18).
What are the key properties of ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate?
ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate has a molecular weight of 293.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate is sourced from PubChem (CID 61343512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).