(2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C27H29NO2 — CID 100767335

IUPAC(2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCc1cccc([C@H](NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2)c1
InChIInChI=1S/C27H29NO2/c1-19-9-8-14-24(17-19)26(22-11-4-3-5-12-22)28-27(29)20(2)30-25-16-15-21-10-6-7-13-23(21)18-25/h3-5,8-9,11-12,14-18,20,26H,6-7,10,13H2,1-2H3,(H,28,29)/t20-,26-/m1/s1
InChIKeyJKDZZXPZMJATJH-FQRUVTKNSA-N
MW399.53 g/mol
LogP5.55
Rot. Bonds6

About (2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

(2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 100767335) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is (2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID100767335
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC Name(2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCc1cccc([C@H](NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2)c1
InChIInChI=1S/C27H29NO2/c1-19-9-8-14-24(17-19)26(22-11-4-3-5-12-22)28-27(29)20(2)30-25-16-15-21-10-6-7-13-23(21)18-25/h3-5,8-9,11-12,14-18,20,26H,6-7,10,13H2,1-2H3,(H,28,29)/t20-,26-/m1/s1
InChIKeyJKDZZXPZMJATJH-FQRUVTKNSA-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

N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162624
(2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100709443
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100672901
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
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide
CID 133188915
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
(2R)-2-(3-methoxyphenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28569116
(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100509467
(2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100753046

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of (2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 100767335) is (2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for (2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for (2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is Cc1cccc([C@H](NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2)c1.
What is the InChIKey of (2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is JKDZZXPZMJATJH-FQRUVTKNSA-N. The full InChI is InChI=1S/C27H29NO2/c1-19-9-8-14-24(17-19)26(22-11-4-3-5-12-22)28-27(29)20(2)30-25-16-15-21-10-6-7-13-23(21)18-25/h3-5,8-9,11-12,14-18,20,26H,6-7,10,13H2,1-2H3,(H,28,29)/t20-,26-/m1/s1.
What are the key properties of (2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
(2R)-N-[(R)-(3-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 (2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 100767335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).