(3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate

C22H26NO5- — CID 7343428

IUPAC(3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate
SMILESCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C22H27NO5/c1-22(2,3)15-8-6-14(7-9-15)18(13-20(24)25)23-21(26)17-11-10-16(27-4)12-19(17)28-5/h6-12,18H,13H2,1-5H3,(H,23,26)(H,24,25)/p-1/t18-/m1/s1
InChIKeyUQUVIGKQZFZMDJ-GOSISDBHSA-M
MW384.45 g/mol
LogP2.61
Rot. Bonds7

About (3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate

(3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate (PubChem CID 7343428) has the molecular formula C22H26NO5- and a molecular weight of 384.45 g/mol. Its IUPAC name is (3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Name(3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate
PubChem CID7343428
Molecular FormulaC22H26NO5-
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name(3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate
SMILESCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C22H27NO5/c1-22(2,3)15-8-6-14(7-9-15)18(13-20(24)25)23-21(26)17-11-10-16(27-4)12-19(17)28-5/h6-12,18H,13H2,1-5H3,(H,23,26)(H,24,25)/p-1/t18-/m1/s1
InChIKeyUQUVIGKQZFZMDJ-GOSISDBHSA-M
XLogP2.61
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
(3S)-3-(4-tert-butylphenyl)-3-[(2,4-dichlorobenzoyl)amino]propanoate
CID 7305724
(3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
CID 7045013
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291163
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 6988874
(3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 7291138
(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474
N'-(4-tert-butylbenzoyl)-2,4-dimethoxybenzohydrazide
CID 7980035
(3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291192
3-(4-tert-butylphenyl)-3-[(3-methoxybenzoyl)amino]propanoic acid
CID 3537441
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate?
The IUPAC name of (3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate (CID 7343428) is (3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate.
What is the SMILES notation for (3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate?
The canonical SMILES for (3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate is COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c(OC)c1.
What is the InChIKey of (3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate?
The InChIKey is UQUVIGKQZFZMDJ-GOSISDBHSA-M. The full InChI is InChI=1S/C22H27NO5/c1-22(2,3)15-8-6-14(7-9-15)18(13-20(24)25)23-21(26)17-11-10-16(27-4)12-19(17)28-5/h6-12,18H,13H2,1-5H3,(H,23,26)(H,24,25)/p-1/t18-/m1/s1.
What are the key properties of (3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate?
(3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate has a molecular weight of 384.45 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate is sourced from PubChem (CID 7343428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).