propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate

C26H26N2O5 — CID 56545987

IUPACpropan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccccc1
InChIInChI=1S/C26H26N2O5/c1-17(2)32-24(29)16-23(18-6-4-3-5-7-18)28-26(31)20-10-14-22(15-11-20)33-21-12-8-19(9-13-21)25(27)30/h3-15,17,23H,16H2,1-2H3,(H2,27,30)(H,28,31)
InChIKeyBPCKVGCCPORJKG-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.39
Rot. Bonds9

About propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate

propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate (PubChem CID 56545987) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate
PubChem CID56545987
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Namepropan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccccc1
InChIInChI=1S/C26H26N2O5/c1-17(2)32-24(29)16-23(18-6-4-3-5-7-18)28-26(31)20-10-14-22(15-11-20)33-21-12-8-19(9-13-21)25(27)30/h3-15,17,23H,16H2,1-2H3,(H2,27,30)(H,28,31)
InChIKeyBPCKVGCCPORJKG-UHFFFAOYSA-N
XLogP4.39
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-3-phenylpropanoate
CID 46686826
(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 40514082
4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide
CID 166195128
propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 46637677
propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 55494116
propan-2-yl 3-(2H-benzotriazole-5-carbonylamino)-3-phenylpropanoate
CID 55464119
propan-2-yl 3-phenyl-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoate
CID 51256987
propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate
CID 46483434
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443
4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545703

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate (CID 56545987) is propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate is CC(C)OC(=O)CC(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccccc1.
What is the InChIKey of propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate?
The InChIKey is BPCKVGCCPORJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-17(2)32-24(29)16-23(18-6-4-3-5-7-18)28-26(31)20-10-14-22(15-11-20)33-21-12-8-19(9-13-21)25(27)30/h3-15,17,23H,16H2,1-2H3,(H2,27,30)(H,28,31).
What are the key properties of propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate?
propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate has a molecular weight of 446.50 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 56545987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).