N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C27H29NO2 — CID 133162624

IUPACN-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCc1ccccc1C(NC(=O)C(C)Oc1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C27H29NO2/c1-19-10-6-9-15-25(19)26(22-12-4-3-5-13-22)28-27(29)20(2)30-24-17-16-21-11-7-8-14-23(21)18-24/h3-6,9-10,12-13,15-18,20,26H,7-8,11,14H2,1-2H3,(H,28,29)
InChIKeyIUTVKSWBMIZSPX-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.55
Rot. Bonds6

About N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 133162624) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID133162624
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC NameN-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCc1ccccc1C(NC(=O)C(C)Oc1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C27H29NO2/c1-19-10-6-9-15-25(19)26(22-12-4-3-5-13-22)28-27(29)20(2)30-24-17-16-21-11-7-8-14-23(21)18-24/h3-6,9-10,12-13,15-18,20,26H,7-8,11,14H2,1-2H3,(H,28,29)
InChIKeyIUTVKSWBMIZSPX-UHFFFAOYSA-N
XLogP5.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100767335
N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 133164015
2-(3-chlorophenoxy)-N-[(2-methylphenyl)-phenylmethyl]propanamide
CID 46772545
(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100672901
(2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100753046
N-(2,4-dimethylpentan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185841
N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187740
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100509467
(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239
(2S)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558253

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 133162624) is N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is Cc1ccccc1C(NC(=O)C(C)Oc1ccc2c(c1)CCCC2)c1ccccc1.
What is the InChIKey of N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is IUTVKSWBMIZSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO2/c1-19-10-6-9-15-25(19)26(22-12-4-3-5-13-22)28-27(29)20(2)30-24-17-16-21-11-7-8-14-23(21)18-24/h3-6,9-10,12-13,15-18,20,26H,7-8,11,14H2,1-2H3,(H,28,29).
What are the key properties of N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 399.53 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 133162624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).