ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate

C23H29NO4 — CID 7044467

IUPACethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H29NO4/c1-6-28-21(25)15-20(16-9-13-19(27-5)14-10-16)24-22(26)17-7-11-18(12-8-17)23(2,3)4/h7-14,20H,6,15H2,1-5H3,(H,24,26)/t20-/m0/s1
InChIKeyWBNRCPOGXHRNNQ-FQEVSTJZSA-N
MW383.49 g/mol
LogP4.42
Rot. Bonds7

About ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate

ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 7044467) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
PubChem CID7044467
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Nameethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H29NO4/c1-6-28-21(25)15-20(16-9-13-19(27-5)14-10-16)24-22(26)17-7-11-18(12-8-17)23(2,3)4/h7-14,20H,6,15H2,1-5H3,(H,24,26)/t20-/m0/s1
InChIKeyWBNRCPOGXHRNNQ-FQEVSTJZSA-N
XLogP4.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474
ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7310426
ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310542
ethyl (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7045180
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55880256
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443
ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65233826
[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214914

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate (CID 7044467) is ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate is CCOC(=O)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is WBNRCPOGXHRNNQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29NO4/c1-6-28-21(25)15-20(16-9-13-19(27-5)14-10-16)24-22(26)17-7-11-18(12-8-17)23(2,3)4/h7-14,20H,6,15H2,1-5H3,(H,24,26)/t20-/m0/s1.
What are the key properties of ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 383.49 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 7044467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).