N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

C24H30N2O3 — CID 133235388

IUPACN-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCC(Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H30N2O3/c1-18(29-23-8-4-6-20-5-2-3-7-22(20)23)24(27)25-17-19-9-11-21(12-10-19)26-13-15-28-16-14-26/h4,6,8-12,18H,2-3,5,7,13-17H2,1H3,(H,25,27)
InChIKeyYUFUSWURRDCZRR-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.49
Rot. Bonds6

About N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 133235388) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID133235388
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCC(Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H30N2O3/c1-18(29-23-8-4-6-20-5-2-3-7-22(20)23)24(27)25-17-19-9-11-21(12-10-19)26-13-15-28-16-14-26/h4,6,8-12,18H,2-3,5,7,13-17H2,1H3,(H,25,27)
InChIKeyYUFUSWURRDCZRR-UHFFFAOYSA-N
XLogP3.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 125058665
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971
(2R)-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100717488
2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282901
(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100711289
N-[(4-morpholin-4-ylphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282855
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133199399
2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 132666019
2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 132657777
N-[(4-piperidin-1-ylphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43908232
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 133235388) is N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is CC(Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is YUFUSWURRDCZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-18(29-23-8-4-6-20-5-2-3-7-22(20)23)24(27)25-17-19-9-11-21(12-10-19)26-13-15-28-16-14-26/h4,6,8-12,18H,2-3,5,7,13-17H2,1H3,(H,25,27).
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 394.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 133235388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).