N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

C24H31NO4 — CID 133199399

IUPACN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCOc1cc(CNC(=O)C(C)Oc2cccc3c2CCCC3)ccc1OC(C)C
InChIInChI=1S/C24H31NO4/c1-16(2)28-22-13-12-18(14-23(22)27-4)15-25-24(26)17(3)29-21-11-7-9-19-8-5-6-10-20(19)21/h7,9,11-14,16-17H,5-6,8,10,15H2,1-4H3,(H,25,26)
InChIKeyNFUKXSXULYBOBB-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.44
Rot. Bonds8

About N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 133199399) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID133199399
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCOc1cc(CNC(=O)C(C)Oc2cccc3c2CCCC3)ccc1OC(C)C
InChIInChI=1S/C24H31NO4/c1-16(2)28-22-13-12-18(14-23(22)27-4)15-25-24(26)17(3)29-21-11-7-9-19-8-5-6-10-20(19)21/h7,9,11-14,16-17H,5-6,8,10,15H2,1-4H3,(H,25,26)
InChIKeyNFUKXSXULYBOBB-UHFFFAOYSA-N
XLogP4.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.44
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
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94016454
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636993
(2R)-2-(3-chlorophenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 93487462
N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133235388
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100659224
N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184465
N-(cyclohexylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133185624
(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100756989
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 133199399) is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is COc1cc(CNC(=O)C(C)Oc2cccc3c2CCCC3)ccc1OC(C)C.
What is the InChIKey of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is NFUKXSXULYBOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-16(2)28-22-13-12-18(14-23(22)27-4)15-25-24(26)17(3)29-21-11-7-9-19-8-5-6-10-20(19)21/h7,9,11-14,16-17H,5-6,8,10,15H2,1-4H3,(H,25,26).
What are the key properties of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 397.52 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 133199399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).