ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate

C22H25N3O4 — CID 48588082

IUPACethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)CC(NC(=O)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1
InChIInChI=1S/C22H25N3O4/c1-2-29-20(26)14-19(15-6-4-3-5-7-15)25-21(27)16-8-10-17(11-9-16)23-22(28)24-18-12-13-18/h3-11,18-19H,2,12-14H2,1H3,(H,25,27)(H2,23,24,28)
InChIKeyOSOBOMGIBLARPO-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.39
Rot. Bonds8

About ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate

ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate (PubChem CID 48588082) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate
PubChem CID48588082
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nameethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)CC(NC(=O)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1
InChIInChI=1S/C22H25N3O4/c1-2-29-20(26)14-19(15-6-4-3-5-7-15)25-21(27)16-8-10-17(11-9-16)23-22(28)24-18-12-13-18/h3-11,18-19H,2,12-14H2,1H3,(H,25,27)(H2,23,24,28)
InChIKeyOSOBOMGIBLARPO-UHFFFAOYSA-N
XLogP3.39
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate
CID 55678292
4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55677877
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate
CID 46825007
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443
[(2S)-2-[[4-(ethoxycarbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938445
[(2R)-2-[[4-(ethoxycarbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938442
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
CID 112989391
methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
CID 29170764
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate?
The IUPAC name of ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate (CID 48588082) is ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate?
The canonical SMILES for ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate is CCOC(=O)CC(NC(=O)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1.
What is the InChIKey of ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate?
The InChIKey is OSOBOMGIBLARPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-2-29-20(26)14-19(15-6-4-3-5-7-15)25-21(27)16-8-10-17(11-9-16)23-22(28)24-18-12-13-18/h3-11,18-19H,2,12-14H2,1H3,(H,25,27)(H2,23,24,28).
What are the key properties of ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate?
ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate has a molecular weight of 395.46 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 48588082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).