(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide

C23H31NO4 — CID 94016454

IUPAC(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCOc1cc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)ccc1OC(C)C
InChIInChI=1S/C23H31NO4/c1-15(2)19-9-7-8-10-20(19)28-17(5)23(25)24-14-18-11-12-21(27-16(3)4)22(13-18)26-6/h7-13,15-17H,14H2,1-6H3,(H,24,25)/t17-/m0/s1
InChIKeyBCTPNBUKOZZKRS-KRWDZBQOSA-N
MW385.50 g/mol
LogP4.69
Rot. Bonds9

About (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide

(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 94016454) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID94016454
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCOc1cc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)ccc1OC(C)C
InChIInChI=1S/C23H31NO4/c1-15(2)19-9-7-8-10-20(19)28-17(5)23(25)24-14-18-11-12-21(27-16(3)4)22(13-18)26-6/h7-13,15-17H,14H2,1-6H3,(H,24,25)/t17-/m0/s1
InChIKeyBCTPNBUKOZZKRS-KRWDZBQOSA-N
XLogP4.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylphenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46763837
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92647143
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92683578
(2R)-2-(3-chlorophenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 93487462
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133199399
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636993
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 26531500
N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 17070225
2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 43876908
(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94018489
2-benzylsulfanyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 132656144

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 94016454) is (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide is COc1cc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)ccc1OC(C)C.
What is the InChIKey of (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is BCTPNBUKOZZKRS-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H31NO4/c1-15(2)19-9-7-8-10-20(19)28-17(5)23(25)24-14-18-11-12-21(27-16(3)4)22(13-18)26-6/h7-13,15-17H,14H2,1-6H3,(H,24,25)/t17-/m0/s1.
What are the key properties of (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide?
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 385.50 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 94016454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).