propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate

C23H29NO5 — CID 46483434

IUPACpropan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate
SMILESCOc1cc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2)ccc1OC(C)C
InChIInChI=1S/C23H29NO5/c1-15(2)28-20-12-11-18(13-21(20)27-5)23(26)24-19(14-22(25)29-16(3)4)17-9-7-6-8-10-17/h6-13,15-16,19H,14H2,1-5H3,(H,24,26)
InChIKeyCBLQXDIANHOUJQ-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.30
Rot. Bonds9

About propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate

propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate (PubChem CID 46483434) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate
PubChem CID46483434
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Namepropan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate
SMILESCOc1cc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2)ccc1OC(C)C
InChIInChI=1S/C23H29NO5/c1-15(2)28-20-12-11-18(13-21(20)27-5)23(26)24-19(14-22(25)29-16(3)4)17-9-7-6-8-10-17/h6-13,15-16,19H,14H2,1-5H3,(H,24,26)
InChIKeyCBLQXDIANHOUJQ-UHFFFAOYSA-N
XLogP4.30
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid
CID 119367895
propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 26974136
propan-2-yl 3-(2H-benzotriazole-5-carbonylamino)-3-phenylpropanoate
CID 55464119
ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 18323152
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8936252
propan-2-yl 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-3-phenylpropanoate
CID 46686826
propan-2-yl 3-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-3-phenylpropanoate
CID 43058875
3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide
CID 45351975
propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate
CID 56545987
propan-2-yl (3R)-3-[[3-(methylsulfonylmethyl)benzoyl]amino]-3-phenylpropanoate
CID 26975678
propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
CID 46483453

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate (CID 46483434) is propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate is COc1cc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2)ccc1OC(C)C.
What is the InChIKey of propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate?
The InChIKey is CBLQXDIANHOUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-15(2)28-20-12-11-18(13-21(20)27-5)23(26)24-19(14-22(25)29-16(3)4)17-9-7-6-8-10-17/h6-13,15-16,19H,14H2,1-5H3,(H,24,26).
What are the key properties of propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate?
propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate has a molecular weight of 399.49 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 46483434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).