(2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

C23H31NO4 — CID 8624083

IUPAC(2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C23H31NO4/c1-16(28-19-10-8-18(9-11-19)23(2,3)4)22(25)24-14-13-17-7-12-20(26-5)21(15-17)27-6/h7-12,15-16H,13-14H2,1-6H3,(H,24,25)/t16-/m1/s1
InChIKeyZXEFSAYMHYJOPW-MRXNPFEDSA-N
MW385.50 g/mol
LogP4.13
Rot. Bonds8

About (2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

(2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 8624083) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID8624083
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C23H31NO4/c1-16(28-19-10-8-18(9-11-19)23(2,3)4)22(25)24-14-13-17-7-12-20(26-5)21(15-17)27-6/h7-12,15-16H,13-14H2,1-6H3,(H,24,25)/t16-/m1/s1
InChIKeyZXEFSAYMHYJOPW-MRXNPFEDSA-N
XLogP4.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 51532938
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 48586822
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 7415114
(2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 95091668
(2S)-2-(3-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 7026894
(2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 99647029
2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55504113
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92647143
(2R)-2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2164093
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133186748

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 8624083) is (2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is ZXEFSAYMHYJOPW-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H31NO4/c1-16(28-19-10-8-18(9-11-19)23(2,3)4)22(25)24-14-13-17-7-12-20(26-5)21(15-17)27-6/h7-12,15-16H,13-14H2,1-6H3,(H,24,25)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
(2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 385.50 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 8624083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).